Geometry & MOs

Info

ID:	412295
PubChem CID:	135085180
Reduced:	BrOF2N2C29H31 (1)
Stoich.:	ABC2D2E29F31 (1)
Weight, g/mol:	461.240445
ΔH_f, kcal/mol:	-20.06
Dipole, Da:	11.28
IP(EA), eV:	-8.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(R)-[1-[(2,3-difluorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline

Drug info:

PubChemData

Smile

C=CCO[C@@H](C1CC2CC[N+]1(CC2C=C)CC3=C(C(=CC=C3)F)F)C4=CC=NC5=CC=CC=C45.[Br-]

DOS

IR

Vibrations