Geometry & MOs

Info

ID:	433649
PubChem CID:	135173789
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	634.293536
ΔH_f, kcal/mol:	64.99
Dipole, Da:	3.62
IP(EA), eV:	-8.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC2=C1C=CC3=CN=C(N=C32)N

DOS

IR

Vibrations