Geometry & MOs

Info

ID:	160136
PubChem CID:	57304841
Reduced:	ClOC3H4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-100.46
Dipole, Da:	4.83
IP(EA), eV:	-11.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-imino-3-phenoxybut-3-en-2-one

Drug info:

PubChemData

Smile

C=C(CCC(Cl)Cl)C(=O)O

DOS

IR

Vibrations