Geometry & MOs

Info

ID:	209746
PubChem CID:	80712718
Reduced:	FON2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	1.28
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-methyl-N-(oxolan-3-yl)butanamide

Drug info:

PubChemData

Smile

C1COCC1NC2=C(C=CC=N2)F

DOS

IR

Vibrations