Geometry & MOs

Info

ID:	367828
PubChem CID:	127325936
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	363.288577
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	4.96
IP(EA), eV:	-8.45(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(4-methylcyclohexyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=NNC(=C3)C

DOS

IR

Vibrations