Geometry & MOs

Info

ID:	439104
PubChem CID:	135228867
Reduced:	IOF2N2C20H25 (1)
Stoich.:	ABC2D2E20F25 (1)
Weight, g/mol:	312.220164
ΔH_f, kcal/mol:	-81.54
Dipole, Da:	5.57
IP(EA), eV:	-8.78(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-(5-methylimidazol-1-yl)-3-(2-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(N2C1=CN=C2)CC(C3CCC(CC3)C(F)(F)I)O)C=C

DOS

IR

Vibrations