Geometry & MOs

Info

ID:	48977
PubChem CID:	11528570
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	3.43
IP(EA), eV:	-9.35(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylcarbamoyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(=O)OC

DOS

IR

Vibrations