Geometry & MOs

Info

ID:	344500
PubChem CID:	127268084
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	3.23
IP(EA), eV:	-8.84(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)N2CCOCC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations