Geometry & MOs

Info

ID:	46618
PubChem CID:	10525638
Reduced:	N2O3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	411.131802
ΔH_f, kcal/mol:	-168.08
Dipole, Da:	2.44
IP(EA), eV:	-9.28(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,9aR)-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[6,5-f]indolizine-7,10-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations