Geometry & MOs

Info

ID:	383771
PubChem CID:	134975688
Reduced:	ClNO2H6C9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	4.59
IP(EA), eV:	-10.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2,4,6-trimethylphenyl)ethanimidate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C=O)Cl)C#N

DOS

IR

Vibrations