Geometry & MOs

Info

ID:	25320
PubChem CID:	622876
Reduced:	N3O3F4H11C16 (1)
Stoich.:	A3B3C4D11E16 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-217.44
Dipole, Da:	3.4
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-nitro-4-(propan-2-ylamino)phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)N1CC2=C(C(=C(C(=C2F)F)F)F)OC3=CC=CC=C31

DOS

IR

Vibrations