Geometry & MOs

Info

ID:	381059
PubChem CID:	134971687
Reduced:	IMgOC9H17 (1)
Stoich.:	ABCD9E17 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	3.2
IP(EA), eV:	-6.85(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9S,10R)-1-methoxy-9-methyl-3-pentyl-8,9,10,10a-tetrahydro-6H-benzo[c]chromen-10-yl]methanol

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C)[O-])C.[Mg+2].[I-]

DOS

IR

Vibrations