Geometry & MOs

Info

ID:	307452
PubChem CID:	125299972
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-108.14
Dipole, Da:	3.7
IP(EA), eV:	-8.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN[C@H]2C=NC(=O)NC2=O)OC

DOS

IR

Vibrations