Geometry & MOs

Info

ID:	74600
PubChem CID:	48422150
Reduced:	N3O5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	384.166077
ΔH_f, kcal/mol:	-173.3
Dipole, Da:	3.29
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations