Geometry & MOs

Info

ID:	75399
PubChem CID:	48423423
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	354.151034
ΔH_f, kcal/mol:	-112.27
Dipole, Da:	3.09
IP(EA), eV:	-9.39(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations