Geometry & MOs

Info

ID:	293405
PubChem CID:	117387302
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-67.29
Dipole, Da:	5.5
IP(EA), eV:	-9.25(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC1C2=C(C=C(C=C2)C(CCC(=O)O)N)Cl

DOS

IR

Vibrations