Geometry & MOs

Info

ID:	199312
PubChem CID:	79228872
Reduced:	NSC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	250.139137
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	2.67
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylsulfanylethyl)cycloheptan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCSC1=CC=CC=C1)CNCC

DOS

IR

Vibrations