Geometry & MOs

Info

ID:	291515
PubChem CID:	113107324
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	397.07601
ΔH_f, kcal/mol:	-40.7
Dipole, Da:	4.54
IP(EA), eV:	-8.06(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2CCN(CC2)C(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations