Geometry & MOs

Info

ID:	165423
PubChem CID:	74547910
Reduced:	N2O3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	359.233468
ΔH_f, kcal/mol:	-81.54
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.160379
Charge, e:	1

Chem-info

IUPAC name:

2-(4-ethoxy-3-methoxyphenyl)-5-methyl-7-propyl-1-aza-3-azoniatricyclo[3.3.1.13,7]decan-6-one

Drug info:

PubChemData

Smile

CCCC12C[NH+]3CC(C1=O)(CN(C2)C3C4=C(C(=CC=C4)OC)O)C

DOS

IR

Vibrations