Geometry & MOs

Info

ID:	308019
PubChem CID:	125311830
Reduced:	NO5H15C20 (1)
Stoich.:	AB5C15D20 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	9.12
IP(EA), eV:	-9.69(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetylcarbamoyl)-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C2=C(C=C1)OC(=O)C[C@@H]2[C@H]3C=C4C=CC=CC4=NC3=O)O

DOS

IR

Vibrations