Geometry & MOs

Info

ID:	446612
PubChem CID:	135276381
Reduced:	ON2C9H12 (3)
Stoich.:	AB2C9D12 (3)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	2.93
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C(=O)OC(C)(C)C)N(N=C2)C4=NC(=NC(=C4)NC5CC(C5)O)C

DOS

IR

Vibrations