Geometry & MOs

Info

ID:	264543
PubChem CID:	103469377
Reduced:	BrN5H10C11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	213.101445
ΔH_f, kcal/mol:	100.57
Dipole, Da:	2.97
IP(EA), eV:	-8.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(4,5-dimethylimidazol-1-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C=C(C=N2)C#N)N)C)Br

DOS

IR

Vibrations