Geometry & MOs

Info

ID:	136408
PubChem CID:	52034951
Reduced:	O2N6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	415.294725
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	7.67
IP(EA), eV:	-8.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3CCCCC3N(C2=O)CCC(=O)NCC4CCNCC4

DOS

IR

Vibrations