Geometry & MOs

Info

ID:	340276
PubChem CID:	127262287
Reduced:	ClO2H15C21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	357.126234
ΔH_f, kcal/mol:	3.86
Dipole, Da:	2.97
IP(EA), eV:	-9.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2-(3-chloro-4-cyclohexylphenyl)-4-(ethylamino)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C2=CC(=C(C=C2)O)Cl)/C(=O)C3=CC=CC=C3

DOS

IR

Vibrations