Geometry & MOs

Info

ID:	358578
PubChem CID:	127296337
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	3.17
IP(EA), eV:	-8.73(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[2-(4-phenylcyclohexyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3CCN(CC3)CC4=NOC(=C4)C)OC

DOS

IR

Vibrations