Geometry & MOs

Info

ID:	402803
PubChem CID:	135057337
Reduced:	OSN2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	45.46
Dipole, Da:	1.66
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-phenylspiro[1,3-dioxolane-2,6'-5,7-dihydro-4H-benzotriazole]

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC(=CO2)C3=CC=CC=C3)C

DOS

IR

Vibrations