Geometry & MOs

Info

ID:	136407
PubChem CID:	52034794
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	6.74
IP(EA), eV:	-9.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CCN2C3CCCCC3N4C(=NN=C4C2=O)C

DOS

IR

Vibrations