Geometry & MOs

Info

ID:	407154
PubChem CID:	135079435
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	334.05684
ΔH_f, kcal/mol:	-53.11
Dipole, Da:	3.7
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3-bromophenyl)methylidene]-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCC/C(=C\C1=CC=C(C=C1)C)/C(=O)C2=CCCCO2

DOS

IR

Vibrations