Geometry & MOs

Info

ID:	405634
PubChem CID:	135074742
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	427.135448
ΔH_f, kcal/mol:	73.48
Dipole, Da:	1.02
IP(EA), eV:	-8.16(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[cyclopropylidene(phenyl)methyl]phenyl]-1-(4-methylphenyl)sulfonyltriazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)C(=C2CC2)C3=CC=CC=C3

DOS

IR

Vibrations