Geometry & MOs

Info

ID:	391453
PubChem CID:	135005297
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	398.098269
ΔH_f, kcal/mol:	41.0
Dipole, Da:	4.78
IP(EA), eV:	-8.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzo[b]quinolizin-5-ium-9-yl(methyl)amino]ethanol;hexafluorophosphate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C[C@H]([C@H]3C2=CC=CC=C3)C4=CC=CN4C

DOS

IR

Vibrations