Geometry & MOs

Info

ID:	25
PubChem CID:	1974
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	1.08
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations