Geometry & MOs

Info

ID:	75640
PubChem CID:	48423778
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	2.59
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations