Geometry & MOs

Info

ID:	164991
PubChem CID:	74480592
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	283.217424
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	5.4
IP(EA), eV:	-8.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7,9-dimethyl-4-propyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinolin-7-ium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C3=C(C(C4C(=N3)CCCC4=O)C5=CC(=C(C(=C5)OC)O)OC)C(=N2)C

DOS

IR

Vibrations