Geometry & MOs

Info

ID:	80990
PubChem CID:	49854230
Reduced:	F2O2N5C17H17 (1)
Stoich.:	A2B2C5D17E17 (1)
Weight, g/mol:	393.07593
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	5.39
IP(EA), eV:	-9.44(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dichloro-1-methylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=NC2=C1C(=C(C=C2)F)F)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations