Geometry & MOs

Info

ID:	215909
PubChem CID:	85085426
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	2.89
IP(EA), eV:	-9.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(cyclooctatetraenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC[N+](=CC1=CC=CC=C1)[O-]

DOS

IR

Vibrations