Geometry & MOs

Info

ID:	343815
PubChem CID:	127266991
Reduced:	OF3N5C12H14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	6.19
IP(EA), eV:	-8.96(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,2-oxazol-3-ylmethylamino)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CN1C=C(C=N1)NCC2=CC=C(N2)C(F)(F)F

DOS

IR

Vibrations