Geometry & MOs

Info

ID:	182565
PubChem CID:	76907676
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	5.98
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-ethylbutanoylamino)-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C=CC=C1C(=O)NC2=CC=CC(=C2)C=CC(=O)O

DOS

IR

Vibrations