Geometry & MOs

Info

ID:	374846
PubChem CID:	131349515
Reduced:	N6C9H10 (1)
Stoich.:	A6B9C10 (1)
Weight, g/mol:	222.96328
ΔH_f, kcal/mol:	120.03
Dipole, Da:	5.86
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-bromopyridin-2-yl)but-3-yn-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N2C(=CC(=N2)C#N)N)C

DOS

IR

Vibrations