Geometry & MOs

Info

ID:	446562
PubChem CID:	135276021
Reduced:	O4N6C21H30 (1)
Stoich.:	A4B6C21D30 (1)
Weight, g/mol:	326.221895
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	6.04
IP(EA), eV:	-8.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N'-(1-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations