Geometry & MOs

Info

ID:	281022
PubChem CID:	103852438
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	199.040006
ΔH_f, kcal/mol:	-40.09
Dipole, Da:	4.3
IP(EA), eV:	-9.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-aminoethyl]-3-chlorobenzoic acid

Drug info:

PubChemData

Smile

CCCCC1=C2CCC(=O)C2=CC=C1

DOS

IR

Vibrations