Geometry & MOs

Info

ID:	414024
PubChem CID:	135086977
Reduced:	SC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	187.074562
ΔH_f, kcal/mol:	75.61
Dipole, Da:	1.88
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-azido-3-(4-methylphenyl)prop-2-enal

Drug info:

PubChemData

Smile

C=CC1C(S1)C=CC2=CC=CC=C2

DOS

IR

Vibrations