Geometry & MOs

Info

ID:	433713
PubChem CID:	135173853
Reduced:	NO6C17H37 (1)
Stoich.:	AB6C17D37 (1)
Weight, g/mol:	654.202528
ΔH_f, kcal/mol:	-272.3
Dipole, Da:	3.36
IP(EA), eV:	-9.08(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNCCOCCOCCOCCOCCOCCOC

DOS

IR

Vibrations