Geometry & MOs

Info

ID:	136406
PubChem CID:	52034692
Reduced:	O2F3N5C21H30 (1)
Stoich.:	A2B3C5D21E30 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-242.14
Dipole, Da:	9.13
IP(EA), eV:	-9.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C2N1C3CCCCC3N(C2=O)CCC(=O)NC4CCCC(C4)C(F)(F)F

DOS

IR

Vibrations