Geometry & MOs

Info

ID:	148030
PubChem CID:	53787692
Reduced:	PC3O6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	373.27695
ΔH_f, kcal/mol:	-656.8
Dipole, Da:	5.94
IP(EA), eV:	-10.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]benzonitrile

Drug info:

PubChemData

Smile

C(C(COP(=O)(O)OCC(C(=O)O)O)O)OP(=O)(O)O

DOS

IR

Vibrations