Geometry & MOs

Info

ID:	43383
PubChem CID:	10321209
Reduced:	NSiO3C26H41 (1)
Stoich.:	ABC3D26E41 (1)
Weight, g/mol:	443.151288
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	3.43
IP(EA), eV:	-8.22(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethoxy]quinoline;hydrochloride

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1C[C@H]2[C@@]3(CCN(CC4=C3C(=C(C=C4)OC)O2)C)C=C1

DOS

IR

Vibrations