Geometry & MOs

Info

ID:	167806
PubChem CID:	74880208
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-154.0
Dipole, Da:	6.65
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C=CC1=CC(=CC=C1)OC

DOS

IR

Vibrations