Geometry & MOs

Info

ID:	283504
PubChem CID:	103985778
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	1.87
IP(EA), eV:	-9.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-(oxolan-3-yl)propan-2-one

Drug info:

PubChemData

Smile

CCCCC(C1=NC(=NO1)CC2CCOC2)N

DOS

IR

Vibrations