Geometry & MOs

Info

ID:	80959
PubChem CID:	49854125
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	347.119381
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	6.15
IP(EA), eV:	-9.3(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=C1C(=CC=C2)O)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations