Geometry & MOs

Info

ID:	165659
PubChem CID:	74580339
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	6.17
IP(EA), eV:	-9.54(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[butyl(ethyl)amino]-3-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NOC=N2)C)C=CC(=O)O

DOS

IR

Vibrations