Geometry & MOs

Info

ID:	284663
PubChem CID:	104058234
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	299.95527
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	4.65
IP(EA), eV:	-9.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)C1=COCCC1

DOS

IR

Vibrations