Geometry & MOs

Info

ID:	83232
PubChem CID:	49857320
Reduced:	ON2H16C20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	300.126263
ΔH_f, kcal/mol:	99.38
Dipole, Da:	2.12
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-(2-pyridin-2-ylethynyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCNC2=CC=CC(=C2)C#CC3=CC=CC=N3

DOS

IR

Vibrations