Geometry & MOs

Info

ID:	164013
PubChem CID:	74381410
Reduced:	ClON4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-22.31
Dipole, Da:	5.56
IP(EA), eV:	-8.35(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;methyl 3-amino-2-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)NC1CCCC2C1NNC2NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations