Geometry & MOs

Info

ID:	1399
PubChem CID:	4327
Reduced:	ON6H18C22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	382.154209
ΔH_f, kcal/mol:	90.67
Dipole, Da:	4.07
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

DOS

IR

Vibrations