Geometry & MOs

Info

ID:	418345
PubChem CID:	135104239
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	10.31
Dipole, Da:	1.09
IP(EA), eV:	-8.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations