Geometry & MOs

Info

ID:	199825
PubChem CID:	79302950
Reduced:	ClBr2N3H8C13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	86.72
Dipole, Da:	2.81
IP(EA), eV:	-9.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylcyclohexyl)-2-hydroxy-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)N2C(=NC3=C2N=CC(=C3)Br)CCl

DOS

IR

Vibrations