Geometry & MOs

Info

ID:	249612
PubChem CID:	103090843
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	-39.31
Dipole, Da:	3.65
IP(EA), eV:	-8.99(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-quinolin-4-ylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)/C=C(/C)\C(=O)C

DOS

IR

Vibrations