Geometry & MOs

Info

ID:	185807
PubChem CID:	77350821
Reduced:	SN2O6C27H28 (1)
Stoich.:	AB2C6D27E28 (1)
Weight, g/mol:	370.323566
ΔH_f, kcal/mol:	-160.01
Dipole, Da:	4.48
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentyl-5-[4-(4-propylcyclohexyl)phenyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)CC=CCO

DOS

IR

Vibrations