Geometry & MOs

Info

ID:	80947
PubChem CID:	49854026
Reduced:	F2O3N4H14C16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	347.119381
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	8.16
IP(EA), eV:	-9.51(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC3=NC4=C(O3)C(=C(C=C4)F)F

DOS

IR

Vibrations