Geometry & MOs

Info

ID:	80991
PubChem CID:	49854231
Reduced:	Cl2O2N5C17H17 (1)
Stoich.:	A2B2C5D17E17 (1)
Weight, g/mol:	379.125609
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	3.26
IP(EA), eV:	-9.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-yl-2-[(5,6,7-trifluoro-1-methylbenzimidazol-2-yl)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2N=C1CC3=NC(=O)C=C(N3)N4CCOCC4)Cl)Cl

DOS

IR

Vibrations