Geometry & MOs

Info

ID:	6956
PubChem CID:	70652
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-112.98
Dipole, Da:	2.34
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations