Geometry & MOs

Info

ID:	386537
PubChem CID:	134982070
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	433.225308
ΔH_f, kcal/mol:	-82.7
Dipole, Da:	3.18
IP(EA), eV:	-8.47(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C=C(C2=CC3=C(C=C21)OCO3)C4=CC=C(C=C4)OC)N5CCOCC5

DOS

IR

Vibrations