Geometry & MOs

Info

ID:	136404
PubChem CID:	52034556
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-74.11
Dipole, Da:	6.25
IP(EA), eV:	-9.87(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyclohexylpropyl)-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

CC1CCCC(C1)CCNC(=O)CCN2C3CCCCC3N4C=NN=C4C2=O

DOS

IR

Vibrations