Geometry & MOs

Info

ID:	205333
PubChem CID:	80088099
Reduced:	NC18H31 (1)
Stoich.:	AB18C31 (1)
Weight, g/mol:	188.123486
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	1.9
IP(EA), eV:	-8.71(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-pentan-3-ylthiolan-3-ol

Drug info:

PubChemData

Smile

CCC(CC)C(CNCC(C)C)C1=CC=CC(=C1)C

DOS

IR

Vibrations