Geometry & MOs

Info

ID:	298258
PubChem CID:	117648155
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	296.04119
ΔH_f, kcal/mol:	-28.61
Dipole, Da:	3.21
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-bromo-3-methoxy-4,5-dimethylphenyl)-2-methylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(C2=O)(C)C

DOS

IR

Vibrations