Geometry & MOs

Info

ID:	205551
PubChem CID:	80120336
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	1.95
IP(EA), eV:	-8.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(4-carbamoylphenoxy)-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=CC(=C(C(=C2)C)N)C(=O)OC)C

DOS

IR

Vibrations