Geometry & MOs

Info

ID:	182764
PubChem CID:	76936556
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	9.42
IP(EA), eV:	-8.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-amino-2-oxoethyl)-methylamino]-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C1=CC(=C(C=C1)C=CC(=O)O)C

DOS

IR

Vibrations