Geometry & MOs

Info

ID:	75301
PubChem CID:	48423302
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-51.84
Dipole, Da:	5.23
IP(EA), eV:	-9.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CCN(CC2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations