Geometry & MOs

Info

ID:	263107
PubChem CID:	103339774
Reduced:	FN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-172.0
Dipole, Da:	4.42
IP(EA), eV:	-9.38(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN(CC=C)C(=O)NC1=C(C=CC(=C1)C(=O)O)F

DOS

IR

Vibrations