Geometry & MOs

Info

ID:	433582
PubChem CID:	135173722
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	631.282637
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	3.15
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCCC#CC1=NC=C(C=C1)OC2CC(C2)O

DOS

IR

Vibrations