Geometry & MOs

Info

ID:	359282
PubChem CID:	127297879
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	392.315127
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	6.43
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2CCN3C2CCCC3)C(=O)NC(C)C

DOS

IR

Vibrations