Geometry & MOs

Info

ID:	167776
PubChem CID:	74873581
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	3.64
IP(EA), eV:	-9.52(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclohexanecarbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C(=O)C=CC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations