Geometry & MOs

Info

ID:	446588
PubChem CID:	135276236
Reduced:	O3N7C22H31 (1)
Stoich.:	A3B7C22D31 (1)
Weight, g/mol:	458.129173
ΔH_f, kcal/mol:	-66.23
Dipole, Da:	6.19
IP(EA), eV:	-8.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(6-chloro-7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)N4CCOCC4)N=C2NCCCCNC(=O)OC(C)C

DOS

IR

Vibrations