Geometry & MOs

Info

ID:	358994
PubChem CID:	127297186
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	3.52
IP(EA), eV:	-8.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-cyanophenyl)propanoyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations