Geometry & MOs

Info

ID:	75921
PubChem CID:	48424163
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	348.184921
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	2.86
IP(EA), eV:	-9.01(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations