Geometry & MOs

Info

ID:	417426
PubChem CID:	135093731
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	361.18017
ΔH_f, kcal/mol:	-106.37
Dipole, Da:	4.14
IP(EA), eV:	-8.64(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CC4=C(C=C3)OCCO4)CO

DOS

IR

Vibrations