Geometry & MOs

Info

ID:	399823
PubChem CID:	135042954
Reduced:	PSN2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	27.61
Dipole, Da:	4.52
IP(EA), eV:	-8.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-1-phenyloct-3-ene-1,7-diol

Drug info:

PubChemData

Smile

CC1=CC[P@]2[C@@H](C1)N3C4=CC=CC=C4SC3=N2

DOS

IR

Vibrations