Geometry & MOs

Info

ID:	446581
PubChem CID:	135276192
Reduced:	O3N6C23H34 (1)
Stoich.:	A3B6C23D34 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	7.01
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations