Geometry & MOs

Info

ID:	55037
PubChem CID:	17389688
Reduced:	KNSO2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	241.159728
ΔH_f, kcal/mol:	-87.0
Dipole, Da:	7.11
IP(EA), eV:	-7.61(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)pyrrolidine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)C=C(S2)C(=O)[O-].[K+]

DOS

IR

Vibrations