Geometry & MOs

Info

ID:	404876
PubChem CID:	135071550
Reduced:	INC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	219.079647
ΔH_f, kcal/mol:	90.65
Dipole, Da:	3.25
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-(2-phenylethynyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CCC(CCCC#CC1=CN=CC=C1)I

DOS

IR

Vibrations