Geometry & MOs

Info

ID:	303828
PubChem CID:	124490225
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-168.99
Dipole, Da:	3.66
IP(EA), eV:	-9.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(aminomethyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]([C@H](C/C=C/C1=CC=CC=C1)N)C(=O)O

DOS

IR

Vibrations