Geometry & MOs

Info

ID:	367936
PubChem CID:	127326110
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	7.23
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations