Geometry & MOs

Info

ID:	75664
PubChem CID:	48423816
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	384.166077
ΔH_f, kcal/mol:	-153.88
Dipole, Da:	2.9
IP(EA), eV:	-9.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations