Geometry & MOs

Info

ID:	189431
PubChem CID:	77854571
Reduced:	O4C19H32 (1)
Stoich.:	A4B19C32 (1)
Weight, g/mol:	472.220951
ΔH_f, kcal/mol:	-209.86
Dipole, Da:	2.81
IP(EA), eV:	-9.0(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a-methoxy-4,7-dimethyl-4-propan-2-yl-6,6a,8,9-tetrahydro-5H-indolo[4,3-fg]quinolin-4-ium-9-carboxylate;but-2-enedioic acid

Drug info:

PubChemData

Smile

CCCCC(C)CC=C(C1C(CC2C1CC3(C2)OCCO3)O)O

DOS

IR

Vibrations