Geometry & MOs

Info

ID:	212354
PubChem CID:	81060251
Reduced:	N3C16H17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	50.23
Dipole, Da:	4.2
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=C(C(=NC(=C2)C)C)C#N)C

DOS

IR

Vibrations