Geometry & MOs

Info

ID:	448849
PubChem CID:	135294024
Reduced:	ClON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	315.107085
ΔH_f, kcal/mol:	-45.1
Dipole, Da:	2.54
IP(EA), eV:	-8.7(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-fluoro-5-(3-fluoro-4-formylphenyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)/C(=C/C=C(\N)/Cl)/N

DOS

IR

Vibrations