Geometry & MOs

Info

ID:	319350
PubChem CID:	126655712
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	596.210967
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	1.21
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[C-[2-amino-5-[bis(4-chlorophenyl)methyl]phenyl]-N-cyclopropylcarbonimidoyl]piperidin-1-yl]benzamide

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)OC)CC3=CC=C(C=C3)C

DOS

IR

Vibrations