Geometry & MOs

Info

ID:	20936
PubChem CID:	586325
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-110.28
Dipole, Da:	5.09
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylcarbamoylamino)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations