Geometry & MOs

Info

ID:	75897
PubChem CID:	48424128
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	402.145868
ΔH_f, kcal/mol:	-147.47
Dipole, Da:	3.34
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations