Geometry & MOs

Info

ID:

185883

PubChem CID:

77365305

Reduced:

PN4O8C34H39 (1)

Stoich.:

AB4C8D34E39 (1)

Weight, g/mol:

399.301154

ΔHf, kcal/mol:

-285.19

Dipole, Da:

9.59

IP(EA), eV:

 -8.94(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

6,9a,11a-trimethyl-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-ium-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(NCCC#N)O

DOS

IR

Vibrations