Geometry & MOs

Info

ID:	80929
PubChem CID:	49853922
Reduced:	BrO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	348.103397
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	5.33
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-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(=CC=C2)Br)N3CCOCC3

DOS

IR

Vibrations