Geometry & MOs

Info

ID:	173910
PubChem CID:	75696984
Reduced:	N2O2C21H25 (1)
Stoich.:	A2B2C21D25 (1)
Weight, g/mol:	322.191937
ΔH_f, kcal/mol:	-16.02
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.104897
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-7-phenyl-2-pyridin-3-yl-1-aza-3-azoniatricyclo[3.3.1.13,7]decan-6-ol

Drug info:

PubChemData

Smile

CC12C[NH+]3CC(C1O)(CN(C2)C3C4=CC=CC=C4O)C5=CC=CC=C5

DOS

IR

Vibrations