Geometry & MOs

Info

ID:	80946
PubChem CID:	49854022
Reduced:	F2O3N4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	348.103397
ΔH_f, kcal/mol:	-173.12
Dipole, Da:	5.95
IP(EA), eV:	-9.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,7-difluoro-1,3-benzoxazol-2-yl)methyl]-6-morpholin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1CC(=O)NC2=CC(=C(C=C2)F)F)N3CCOCC3

DOS

IR

Vibrations