Geometry & MOs

Info

ID:	75290
PubChem CID:	48423286
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-153.85
Dipole, Da:	3.13
IP(EA), eV:	-7.92(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)NC(=O)C(C)OCC2CC2)OCCC

DOS

IR

Vibrations