Geometry & MOs

Info

ID:	131340
PubChem CID:	51192943
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	371.182062
ΔH_f, kcal/mol:	-101.23
Dipole, Da:	4.65
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC(=O)N2CCCC2)NC(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations