Geometry & MOs

Info

ID:	387020
PubChem CID:	134983694
Reduced:	NO5H29C30 (1)
Stoich.:	AB5C29D30 (1)
Weight, g/mol:	456.168522
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	6.04
IP(EA), eV:	-8.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=C(C(C3=CC4=C(C=C32)OCO4)(C)N5CCOCC5)C6=CC=C(C=C6)OC

DOS

IR

Vibrations