Geometry & MOs

Info

ID:	67918
PubChem CID:	46507427
Reduced:	N3O4H13C17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	368.086245
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	5.18
IP(EA), eV:	-9.68(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chlorophenyl)methylsulfanyl]-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2)OCC(=O)N

DOS

IR

Vibrations