Geometry & MOs

Info

ID:	75052
PubChem CID:	48422923
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	336.160456
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	4.38
IP(EA), eV:	-9.12(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(CNC(=O)C(C)OCC2CC2)N(C)C

DOS

IR

Vibrations