Geometry & MOs

Info

ID:	386704
PubChem CID:	134982601
Reduced:	IH17C22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	486.179087
ΔH_f, kcal/mol:	101.59
Dipole, Da:	1.67
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=C1C3=CC=CC=C3)I)C4=CC=CC=C4

DOS

IR

Vibrations