Geometry & MOs

Info

ID:	373327
PubChem CID:	131313330
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	225.98541
ΔH_f, kcal/mol:	33.7
Dipole, Da:	7.04
IP(EA), eV:	-7.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=C2C=CC=CC2=O)C=C(N1)CCN

DOS

IR

Vibrations