Geometry & MOs

Info

ID:	249600
PubChem CID:	103090738
Reduced:	OSN2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-62.89
Dipole, Da:	5.9
IP(EA), eV:	-8.41(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,4-dimethylphenyl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)NC(=S)NC1CCC(C1)OC

DOS

IR

Vibrations