Geometry & MOs

Info

ID:	422667
PubChem CID:	135118218
Reduced:	N2F3O5H11C14 (1)
Stoich.:	A2B3C5D11E14 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-302.56
Dipole, Da:	7.74
IP(EA), eV:	-10.68(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=CN=C(C=C3)C(F)(F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations