Geometry & MOs

Info

ID:	387013
PubChem CID:	134983679
Reduced:	FO5H13C18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	405.230394
ΔH_f, kcal/mol:	-173.32
Dipole, Da:	3.43
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-butyl-7-methyl-5-(4-methylphenyl)cyclopenta[f][1,3]benzodioxol-7-yl]morpholine

Drug info:

PubChemData

Smile

COC(=O)[C@@]1([C@H](C2=CC3=C(C=C2C1=O)OCO3)C4=CC=CC=C4)F

DOS

IR

Vibrations