Geometry & MOs

Info

ID:	249613
PubChem CID:	103090849
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	14.15
Dipole, Da:	2.9
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(5-methylpyridin-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=NC2=CC=CC=C12)/C(=O)C

DOS

IR

Vibrations