Geometry & MOs

Info

ID:	31275
PubChem CID:	855516
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	1.16
IP(EA), eV:	-8.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=C(SC=C2)N

DOS

IR

Vibrations