Geometry & MOs

Info

ID:	359545
PubChem CID:	127298819
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-125.81
Dipole, Da:	3.89
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-adamantylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)CCC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations