Geometry & MOs

Info

ID:	296642
PubChem CID:	117586917
Reduced:	OF2N3H7C13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	2.77
IP(EA), eV:	-9.55(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CN=C(C=C2)C#N)F)F

DOS

IR

Vibrations