Geometry & MOs

Info

ID:	382844
PubChem CID:	134974226
Reduced:	NOSC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	148.069971
ΔH_f, kcal/mol:	2.35
Dipole, Da:	5.28
IP(EA), eV:	-7.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1,1-difluorohepta-3,6-dien-1-ol

Drug info:

PubChemData

Smile

CC(=CN=[S@](=O)(C)C1=CC=CC=C1)C

DOS

IR

Vibrations