Geometry & MOs

Info

ID:	344550
PubChem CID:	127268134
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-102.41
Dipole, Da:	2.54
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations