Geometry & MOs

Info

ID:	387019
PubChem CID:	134983692
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	483.204573
ΔH_f, kcal/mol:	-171.69
Dipole, Da:	3.39
IP(EA), eV:	-8.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-(4-methoxyphenyl)-7-methyl-7-morpholin-4-ylcyclopenta[f][1,3]benzodioxol-5-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1(C2=CC=CC=C2C(=C1C(C)(C)C)C(C)(C)C)C(=O)OCC

DOS

IR

Vibrations