Geometry & MOs

Info

ID:	293186
PubChem CID:	117376386
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	4.78
IP(EA), eV:	-9.14(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2CCC2)C(CN)C(=O)O

DOS

IR

Vibrations