Geometry & MOs

Info

ID:	314310
PubChem CID:	126621268
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	164.002716
ΔH_f, kcal/mol:	13.51
Dipole, Da:	4.18
IP(EA), eV:	-8.93(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phosphanylidynemethyl)benzoic acid

Drug info:

PubChemData

Smile

CCO/C(=N\Cl)/C1=NC(=C(C=C1)N2C=C(N=C2)C)OC

DOS

IR

Vibrations