Geometry & MOs

Info

ID:	324844
PubChem CID:	126678462
Reduced:	FN3O5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	0.86
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methoxymethyl)-3,4-dihydro-2H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CN(C)CCC1C(=O)N(C2=C(O1)C=CC(=C2)N(OO)F)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations