Geometry & MOs

Info

ID:	68275
PubChem CID:	46508096
Reduced:	N2O2H9C11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	10.43
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4

DOS

IR

Vibrations