Geometry & MOs

Info

ID:	293247
PubChem CID:	117378567
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	4.26
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(5-cyano-2-hydroxy-4-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CN1C(=O)CCN1C2=CC=CC(=C2)C(C(=O)O)O

DOS

IR

Vibrations