Geometry & MOs

Info

ID:	249605
PubChem CID:	103090786
Reduced:	BrClOSH8C9 (1)
Stoich.:	ABCDE8F9 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	2.62
IP(EA), eV:	-9.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(S1)Cl)Br)C(=O)C

DOS

IR

Vibrations