Geometry & MOs

Info

ID:	249609
PubChem CID:	103090809
Reduced:	BrNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	0.36
Dipole, Da:	2.11
IP(EA), eV:	-9.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(6-methoxypyridin-3-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC(=CN=C1)Br)/C(=O)C

DOS

IR

Vibrations