Geometry & MOs

Info

ID:	6767
PubChem CID:	69903
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-116.38
Dipole, Da:	4.37
IP(EA), eV:	-10.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(propan-2-ylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations