Geometry & MOs

Info

ID:	446596
PubChem CID:	135276281
Reduced:	O3N6C21H28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	5.38
IP(EA), eV:	-8.15(-0.8)
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]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC(=C(C=C3N=C2NCCCCNC(=O)C=C(C)C)OC)OC

DOS

IR

Vibrations