Geometry & MOs

Info

ID:

336828

PubChem CID:

127255835

Reduced:

H19C24 (2)

Stoich.:

A19B24 (2)

Weight, g/mol:

479.015338

ΔHf, kcal/mol:

128.34

Dipole, Da:

1.53

IP(EA), eV:

 -8.23(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S)-4-(2,4,6-trichlorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;tetrafluoroborate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C=C2C3=CC(=CC4=C3CCCC4)C5=C6C=CC=CC6=CC7=CC=CC=C75)C8=C9C=CC=CC9=CC1=CC=CC=C18

DOS

IR

Vibrations