Geometry & MOs

Info

ID:	167807
PubChem CID:	74880260
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-112.79
Dipole, Da:	7.27
IP(EA), eV:	-9.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-ethoxyphenyl)prop-2-enoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)NC(=O)C=CC1=CC=CC=C1C

DOS

IR

Vibrations