Geometry & MOs

Info

ID:	413457
PubChem CID:	135086406
Reduced:	ClO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	134.096974
ΔH_f, kcal/mol:	-83.07
Dipole, Da:	2.44
IP(EA), eV:	-9.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-methylphenyl)ethylideneazanium

Drug info:

PubChemData

Smile

COC(=O)CC(=O)/C(=C/C=C/C1=CC=CC=C1)/Cl

DOS

IR

Vibrations