Geometry & MOs

Info

ID:	433951
PubChem CID:	135174098
Reduced:	BrClON2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	690.238913
ΔH_f, kcal/mol:	11.33
Dipole, Da:	3.52
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[8-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC2=C(C=C(C=C2)Cl)Br)NCC3CNC3

DOS

IR

Vibrations