Geometry & MOs

Info

ID:	212626
PubChem CID:	81061261
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	-19.36
Dipole, Da:	7.13
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-diethyl-1,2,4-triazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2(CCCO2)C

DOS

IR

Vibrations