Geometry & MOs

Info

ID:	249618
PubChem CID:	103090877
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	6.3
IP(EA), eV:	-9.15(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1OCC#N)/C(=O)C

DOS

IR

Vibrations