Geometry & MOs

Info

ID:	446595
PubChem CID:	135276276
Reduced:	N3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	412.222289
ΔH_f, kcal/mol:	62.54
Dipole, Da:	5.8
IP(EA), eV:	-8.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N3C(=NN=C3C(=N2)NCCCCN)C

DOS

IR

Vibrations