Geometry & MOs

Info

ID:	40288
PubChem CID:	8143876
Reduced:	OSN5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	258.149404
ΔH_f, kcal/mol:	78.21
Dipole, Da:	10.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789992
Charge, e:	1

Chem-info

IUPAC name:

7-methoxy-1-(pyrrolidin-1-ium-1-ylmethyl)naphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N4C2=NN(C4=S)C[NH+]5CCCC5

DOS

IR

Vibrations