Geometry & MOs

Info

ID:	406624
PubChem CID:	135078179
Reduced:	NOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	334.05684
ΔH_f, kcal/mol:	26.92
Dipole, Da:	2.02
IP(EA), eV:	-9.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC=NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations