Geometry & MOs

Info

ID:	46322
PubChem CID:	10523882
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-129.31
Dipole, Da:	6.49
IP(EA), eV:	-8.28(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6R,7R,8S)-8-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine

Drug info:

PubChemData

Smile

C/C(=C\C1=CC(=C(C2=C1C=CN2CC3=CC=CC=C3)OCOC)OC)/C(=O)O

DOS

IR

Vibrations