Geometry & MOs

Info

ID:	446622
PubChem CID:	135276467
Reduced:	O3N6C26H30 (1)
Stoich.:	A3B6C26D30 (1)
Weight, g/mol:	416.199445
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	3.96
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-[(1-methyl-7-methylsulfinyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]butanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4)N=C2NCCCCNC(=O)CC(C)C

DOS

IR

Vibrations