Geometry & MOs

Info

ID:

215192

PubChem CID:

85084342

Reduced:

SN4O4F6C37H38 (1)

Stoich.:

AB4C4D6E37F38 (1)

Weight, g/mol:

599.299771

ΔHf, kcal/mol:

-365.33

Dipole, Da:

16.75

IP(EA), eV:

 -8.55(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[2-[(2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-5-ium-3-ylidene)methyl-methylamino]-1,2-diphenylethyl]-2,2,2-trifluoro-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1CC2C3=C(CC[N+]2=CC1=CN(C)C(C4=CC=CC=C4)C(C5=CC=CC=C5)N(C)C(=O)C(F)(F)F)C6=CC=CC=C6N3.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations