Geometry & MOs

Info

ID:	165421
PubChem CID:	74547908
Reduced:	N2O3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	287.175953
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	1.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.106178
Charge, e:	1

Chem-info

IUPAC name:

5-ethyl-2-(2-hydroxyphenyl)-7-methyl-1-aza-3-azoniatricyclo[3.3.1.13,7]decan-6-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2[NH+]3CC4(CN2CC(C3)(C4=O)C(C)C)C(C)C)OC

DOS

IR

Vibrations