Geometry & MOs

Info

ID:	212593
PubChem CID:	81061128
Reduced:	Br2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	231.173548
ΔH_f, kcal/mol:	68.46
Dipole, Da:	3.58
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,2-dimethylpropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations