Geometry & MOs

Info

ID:	373964
PubChem CID:	131321745
Reduced:	NOBr2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	11.48
Dipole, Da:	3.37
IP(EA), eV:	-10.33(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-formylpyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)C1=C(C=C(C=C1)C#N)CBr)Br

DOS

IR

Vibrations