Geometry & MOs

Info

ID:	411298
PubChem CID:	135084111
Reduced:	NSO4H7C8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-112.41
Dipole, Da:	5.91
IP(EA), eV:	-9.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3-trimethyl-N-(pyridin-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=NS(=O)(=O)O2

DOS

IR

Vibrations