Geometry & MOs

Info

ID:	263923
PubChem CID:	103407816
Reduced:	ClSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	239.017163
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	4.06
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-pyridin-3-ylmethanol

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)C2CCOC3(C2)CCCCC3

DOS

IR

Vibrations