Geometry & MOs

Info

ID:	343375
PubChem CID:	127266548
Reduced:	N4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	287.117095
ΔH_f, kcal/mol:	94.02
Dipole, Da:	7.11
IP(EA), eV:	-9.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=NN1)C=CC2=C(C=NC=C2)C#N

DOS

IR

Vibrations