Geometry & MOs

Info

ID:	383895
PubChem CID:	134975932
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	202.19328
ΔH_f, kcal/mol:	9.48
Dipole, Da:	5.27
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-3-methylheptane-1,2-diol

Drug info:

PubChemData

Smile

CCCC(C#N)NS(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations