Geometry & MOs

Info

ID:	133470
PubChem CID:	51531220
Reduced:	OSN3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	176.143925
ΔH_f, kcal/mol:	68.84
Dipole, Da:	14.15
IP(EA), eV:	-7.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3-methylphenyl)methyl]pyrrolidin-1-ium

Drug info:

PubChemData

Smile

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC3=NC4=C(C(=N3)[O-])SC=C4

DOS

IR

Vibrations