Geometry & MOs

Info

ID:	280065
PubChem CID:	103846656
Reduced:	ON4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	267.081933
ΔH_f, kcal/mol:	59.19
Dipole, Da:	4.67
IP(EA), eV:	-10.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-cyclopropyl-2,6-difluoro-4-nitroanilino)propanenitrile

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C#C

DOS

IR

Vibrations