Geometry & MOs

Info

ID:	75276
PubChem CID:	48423268
Reduced:	N3O3C19H33 (1)
Stoich.:	A3B3C19D33 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-136.77
Dipole, Da:	5.28
IP(EA), eV:	-8.9(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations