Geometry & MOs

Info

ID:	433577
PubChem CID:	135173717
Reduced:	NOC39H73 (1)
Stoich.:	ABC39D73 (1)
Weight, g/mol:	549.193153
ΔH_f, kcal/mol:	-179.2
Dipole, Da:	2.38
IP(EA), eV:	-8.97(0.62)
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-(1-methoxyethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCCC)C(CC(C)(C)C1=CC=CC(=C1)CC(C)(C)OCCC(C)(C)CCCC)N

DOS

IR

Vibrations