Geometry & MOs

Info

ID:	448858
PubChem CID:	135294118
Reduced:	F2N3O5C27H43 (1)
Stoich.:	A2B3C5D27E43 (1)
Weight, g/mol:	316.13872
ΔH_f, kcal/mol:	-288.41
Dipole, Da:	5.4
IP(EA), eV:	-9.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-fluoro-5-[3-fluoro-4-(methylamino)phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(C(ON1C2CN(C1=O)CC(=C2)C3=NC=CO3)(F)F)O

DOS

IR

Vibrations