Geometry & MOs

Info

ID:	136403
PubChem CID:	52034534
Reduced:	O3N5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	8.2
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylcyclohexyl)ethyl]-3-(4-oxo-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCOC1CCC(CC1)CNC(=O)CCN2C3CCCCC3N4C=NN=C4C2=O

DOS

IR

Vibrations