Geometry & MOs

Info

ID:	306989
PubChem CID:	125264574
Reduced:	O2N8C19H20 (1)
Stoich.:	A2B8C19D20 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	73.31
Dipole, Da:	5.75
IP(EA), eV:	-8.16(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyanilino)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1NN=C2N1C=CN=C2N3CCN(CC3)C(=O)[C@@H]4C=C5C=CC=NC5=NC4=O

DOS

IR

Vibrations