Geometry & MOs

Info

ID:	76156
PubChem CID:	48424516
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-113.54
Dipole, Da:	2.34
IP(EA), eV:	-8.84(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC=C1CNC(=O)C(C)OCC2CC2

DOS

IR

Vibrations