Geometry & MOs

Info

ID:	220398
PubChem CID:	85182397
Reduced:	O3N4H24C29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	476.161722
ΔH_f, kcal/mol:	37.48
Dipole, Da:	4.78
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NN(C2=CC=CC=C2)C(=O)C(=NNC(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations