Geometry & MOs

Info

ID:	374712
PubChem CID:	131342525
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	185.048821
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	2.48
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-fluoro-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=N1)C(=O)OC)N

DOS

IR

Vibrations