Geometry & MOs

Info

ID:	411522
PubChem CID:	135084354
Reduced:	BO2F3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-194.89
Dipole, Da:	23.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.913400
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-(pyridin-2-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

[B-](C#CC(=O)C1=CC=CC=C1OC)(F)(F)F

DOS

IR

Vibrations