Geometry & MOs

Info

ID:	438109
PubChem CID:	135227680
Reduced:	FON3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	158.084398
ΔH_f, kcal/mol:	35.91
Dipole, Da:	2.78
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-but-1-en-3-yn-2-yl-5-methylpyridin-2-amine

Drug info:

PubChemData

Smile

C1CC1COC2=CC=CC=C2C3=CC=CC=C3C(=NC4=CC=CC=C4F)NN

DOS

IR

Vibrations