Geometry & MOs

Info

ID:	400991
PubChem CID:	135049666
Reduced:	O3S3C11H14 (1)
Stoich.:	A3B3C11D14 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	2.49
IP(EA), eV:	-9.05(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(2-hydroxyethylidene)decanenitrile

Drug info:

PubChemData

Smile

CCOC(=S)SCC(CC(=O)C1=CC=CS1)O

DOS

IR

Vibrations