Geometry & MOs

Info

ID:	358580
PubChem CID:	127296339
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	7.56
IP(EA), eV:	-9.36(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)CC3CCCC4=CC=CC=C34

DOS

IR

Vibrations