Geometry & MOs

Info

ID:	437987
PubChem CID:	135227440
Reduced:	ClFO2N3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	387.114983
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	3.51
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3E,5E)-5-chloro-4-fluorohepta-3,5-dien-2-yl]-3-(pyrimidin-2-ylmethyl)-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC(=C(C=C3)Cl)F)OC(N1CC4=NC=CC=N4)O

DOS

IR

Vibrations