Geometry & MOs

Info

ID:	159020
PubChem CID:	57244558
Reduced:	NSiO3C24H37 (1)
Stoich.:	ABC3D24E37 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-202.67
Dipole, Da:	1.08
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzotriazol-1-yl-[6-(8-methoxyoctoxy)naphthalen-2-yl]methanone

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3C(=C(C=C4[C@@]3(CCC(=O)N4)C)O[Si](C)(C)C(C)(C)C)[C@@H]1CCC2=O

DOS

IR

Vibrations