Geometry & MOs

Info

ID:	173107
PubChem CID:	75597366
Reduced:	O13C25H42 (1)
Stoich.:	A13B25C42 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-614.69
Dipole, Da:	5.8
IP(EA), eV:	-10.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)-6-ethyl-4-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium-1,3'-indole]-2'-olate

Drug info:

PubChemData

Smile

CC1=CC(=O)CC(C1(CCC(C)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)(C)C

DOS

IR

Vibrations