Geometry & MOs

Info

ID:	79680
PubChem CID:	49829950
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	419.269853
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	1.8
IP(EA), eV:	-8.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations