Geometry & MOs

Info

ID:	54863
PubChem CID:	17389428
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	247.116149
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	5.9
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)adamantane-1-thiol;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/NC(=O)CC2C(=O)NNC(=N2)CC3=CC=CC=C3

DOS

IR

Vibrations