Geometry & MOs

Info

ID:	412383
PubChem CID:	135085274
Reduced:	OPN3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	461.072959
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	5.26
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-4-[3,5-bis(trifluoromethyl)phenyl]-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;chloride

Drug info:

PubChemData

Smile

C1C[C@H]2CN([P@](=O)(N2C1)N)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations