Geometry & MOs

Info

ID:

327642

PubChem CID:

126690595

Reduced:

F6N9O11H55C64 (1)

Stoich.:

A6B9C11D55E64 (1)

Weight, g/mol:

374.185509

ΔHf, kcal/mol:

-486.24

Dipole, Da:

15.17

IP(EA), eV:

 -9.29(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-but-3-enyl-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=CC=C(C=C2)CN(CC(=O)O)C(=O)C3=CC=C(C=C3)NC(=O)CC4=C(C=C(C=C4)OCC5=NC=C(C=C5)C6=NOC(=N6)C7=CC=C(C=C7)CN(CC8=CC=C(C=C8)NC(=O)CC9=C(C=C(C=C9)OC)C(F)(F)F)CC(=O)O)C(F)(F)F

DOS

IR

Vibrations