Geometry & MOs

Info

ID:	433683
PubChem CID:	135173823
Reduced:	NSC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	606.214617
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	2.89
IP(EA), eV:	-8.55(0.58)
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-formyl-1-methyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=C)C1CCSC1

DOS

IR

Vibrations