Geometry & MOs

Info

ID:	350817
PubChem CID:	127279105
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	6.53
IP(EA), eV:	-8.66(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1,3-benzodioxol-5-ylmethyl-(4-methylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CN3CCN4C=CN=C4C3

DOS

IR

Vibrations