Geometry & MOs

Info

ID:	433898
PubChem CID:	135174045
Reduced:	FO2N6H29C32 (1)
Stoich.:	AB2C6D29E32 (1)
Weight, g/mol:	517.166938
ΔH_f, kcal/mol:	22.52
Dipole, Da:	5.74
IP(EA), eV:	-8.21(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[(3-ethenyl-1,7-naphthyridin-8-yl)amino]-2-methylphenyl]phenyl]-5-ethenylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CNCCO)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)C=C)F

DOS

IR

Vibrations