Geometry & MOs

Info

ID:	13826
PubChem CID:	399002
Reduced:	ClON5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	291.088688
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	7.42
IP(EA), eV:	-9.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-1H-pyrimidin-6-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN=C(N1)C2=CC=C(C=C2)NC3=NC=CC(=O)N3.Cl

DOS

IR

Vibrations