Geometry & MOs

Info

ID:	263106
PubChem CID:	103339676
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	296.117235
ΔH_f, kcal/mol:	-182.19
Dipole, Da:	6.68
IP(EA), eV:	-9.61(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C(C)NC(=O)N(CCOC)CC=C)C(=O)O

DOS

IR

Vibrations