Geometry & MOs

Info

ID:	75591
PubChem CID:	48423709
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	412.17467
ΔH_f, kcal/mol:	-139.23
Dipole, Da:	2.62
IP(EA), eV:	-9.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC=N1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations