Geometry & MOs

Info

ID:	176340
PubChem CID:	76035123
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	679.21336
ΔH_f, kcal/mol:	-12.71
Dipole, Da:	1.65
IP(EA), eV:	-8.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-N-(1-phenylethyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2=NC=CC(=C2)OC3=CC4=C(C=CC=N4)C=C3

DOS

IR

Vibrations