Geometry & MOs

Info

ID:	328595
PubChem CID:	126725871
Reduced:	NH21C22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	293.120449
ΔH_f, kcal/mol:	95.45
Dipole, Da:	3.81
IP(EA), eV:	-8.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-anthracen-2-ylethynyl)-2-methylpyridine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C#CC2=C3C=CC=C(C3=CC=C2)C(C)(C)C

DOS

IR

Vibrations