Geometry & MOs

Info

ID:	159236
PubChem CID:	57264560
Reduced:	OC23H30 (1)
Stoich.:	AB23C30 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	0.78
IP(EA), eV:	-9.06(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-phenylheptane-1,4-diol

Drug info:

PubChemData

Smile

C[C@]12CCCC=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=C[C@@H]4C5=COC=C5)C

DOS

IR

Vibrations