Geometry & MOs

Info

ID:	22075
PubChem CID:	595946
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	221.123821
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	6.36
IP(EA), eV:	-8.75(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isothiocyanato-3,5-dimethyladamantane

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)N=C=S)C

DOS

IR

Vibrations