Geometry & MOs

Info

ID:	411239
PubChem CID:	135084052
Reduced:	ClNPO4C6H13 (1)
Stoich.:	ABCD4E6F13 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-206.59
Dipole, Da:	2.44
IP(EA), eV:	-10.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanophenyl)pent-4-enoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=N\O)/CCl)OCC

DOS

IR

Vibrations