Geometry & MOs

Info

ID:	43977
PubChem CID:	10322637
Reduced:	N7C28H39 (1)
Stoich.:	A7B28C39 (1)
Weight, g/mol:	360.10241
ΔH_f, kcal/mol:	57.1
Dipole, Da:	2.33
IP(EA), eV:	-8.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(7-chloro-2-deuteriotetrazolo[1,5-a]quinoxalin-10-ium-4-yl)-N,2,2-trideuterio-N-(2-deuteriooxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=CC=CC3=C(C(=NN32)CCCN4CCCC4)C5=NC(=NC=C5)NC6CCCC6

DOS

IR

Vibrations