Geometry & MOs

Info

ID:	136402
PubChem CID:	52034533
Reduced:	O3N5C21H33 (1)
Stoich.:	A3B5C21D33 (1)
Weight, g/mol:	417.27399
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	7.17
IP(EA), eV:	-9.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1CCCCC1CNC(=O)CCN2C3CCCCC3N4C=NN=C4C2=O

DOS

IR

Vibrations