Geometry & MOs

Info

ID:	229948
PubChem CID:	87569624
Reduced:	BrCl2N2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	370.30831
ΔH_f, kcal/mol:	11.73
Dipole, Da:	3.62
IP(EA), eV:	-8.83(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(2-ethylbutyl)decanedioic acid

Drug info:

PubChemData

Smile

CC1C2=C(C=C(N2)Cl)C(=CN1Br)Cl

DOS

IR

Vibrations