Geometry & MOs

Info

ID:	339206
PubChem CID:	127260585
Reduced:	NS2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	372.266445
ΔH_f, kcal/mol:	50.49
Dipole, Da:	4.36
IP(EA), eV:	-7.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1E,3Z)-3,6-bis(1-hydroxycyclohexyl)hexa-1,3-dien-5-ynyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN\1C2=CC=CC=C2S/C1=C/3\CCCCC3=S

DOS

IR

Vibrations