Geometry & MOs

Info

ID:	146953
PubChem CID:	53776772
Reduced:	N5O7C21H23 (1)
Stoich.:	A5B7C21D23 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-222.9
Dipole, Da:	7.99
IP(EA), eV:	-8.83(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carbamoyl(ethyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)N)C(=O)O.COC1=C(C=CC=N1)C(=O)OC.C1=CC(=C(N=C1)N)C(=O)O

DOS

IR

Vibrations