Geometry & MOs

Info

ID:	319800
PubChem CID:	126657326
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	2.66
IP(EA), eV:	-8.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(6-methylpyridin-2-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CC2=CC(=C(C=C2CC1C)OC)OC

DOS

IR

Vibrations