Geometry & MOs

Info

ID:	307451
PubChem CID:	125299971
Reduced:	N3O6C17H19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-112.47
Dipole, Da:	4.45
IP(EA), eV:	-10.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@@H](C2=C(C[C@@]1(C)O)N=N[C@H]2O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations