Geometry & MOs

Info

ID:	437986
PubChem CID:	135227439
Reduced:	N3C6H11 (1)
Stoich.:	A3B6C11 (1)
Weight, g/mol:	371.083683
ΔH_f, kcal/mol:	47.18
Dipole, Da:	3.88
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethyl)-2,4-dihydro-1,3-benzoxazin-2-ol

Drug info:

PubChemData

Smile

C=C/C=C\N=C(CN)N

DOS

IR

Vibrations