Geometry & MOs

Info

ID:	148005
PubChem CID:	53787667
Reduced:	ClNO2C22H30 (1)
Stoich.:	ABC2D22E30 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	2.35
IP(EA), eV:	-8.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-hydroxy-6-phenylhex-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=C(CNC1=CC=CC=C1C(=O)O)Cl)C)C)C

DOS

IR

Vibrations