Geometry & MOs

Info

ID:	429764
PubChem CID:	135169816
Reduced:	FON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	185.070145
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	5.96
IP(EA), eV:	-9.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(triazol-2-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N(N=C1N2C(=C(C=N2)C(=O)N)CF)C)C

DOS

IR

Vibrations