Geometry & MOs

Info

ID:	293404
PubChem CID:	117387240
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-57.74
Dipole, Da:	2.8
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(3-chloro-4-cyclopropylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1C3(CCC3)N)Cl)OCO2

DOS

IR

Vibrations