Geometry & MOs

Info

ID:	37529
PubChem CID:	8021902
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	33.39
Dipole, Da:	4.36
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C)C(=O)CSC2=NN=NN2C)C

DOS

IR

Vibrations