Geometry & MOs

Info

ID:	159038
PubChem CID:	57244626
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	453.162332
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	0.89
IP(EA), eV:	-8.5(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-methylsulfanyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline

Drug info:

PubChemData

Smile

CC=C(C)NOC(C)(C)C

DOS

IR

Vibrations