Geometry & MOs

Info

ID:	293181
PubChem CID:	117376247
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-81.88
Dipole, Da:	1.68
IP(EA), eV:	-8.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2CCOC2)/C=C/CN

DOS

IR

Vibrations