Geometry & MOs

Info

ID:	359842
PubChem CID:	127299886
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	48.2
Dipole, Da:	11.1
IP(EA), eV:	-8.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylcyclohexyl)-2-[4-(2-oxo-1-phenylpyrrolidin-3-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C4CCN(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations