Geometry & MOs

Info

ID:	433018
PubChem CID:	135173155
Reduced:	NPO4C8H12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-195.64
Dipole, Da:	3.56
IP(EA), eV:	-9.09(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dihydroxy-2-methylphenyl) benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1COP(O)O)C)O

DOS

IR

Vibrations