Geometry & MOs

Info

ID:	229871
PubChem CID:	87569417
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	38.22
Dipole, Da:	3.06
IP(EA), eV:	-8.04(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbutyl)-2,6-dimethylheptanedioic acid

Drug info:

PubChemData

Smile

CNC1=NC2=C(C=C(C=C2S1)N)CCN(C)C

DOS

IR

Vibrations