Geometry & MOs

Info

ID:	12245
PubChem CID:	133470
Reduced:	NPO4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	229.050395
ΔH_f, kcal/mol:	-220.87
Dipole, Da:	7.19
IP(EA), eV:	-8.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl)methylphosphonic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CP(=O)(O)O

DOS

IR

Vibrations