Geometry & MOs

Info

ID:	266193
PubChem CID:	103558755
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	3.75
IP(EA), eV:	-9.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxycyclobutyl)hex-4-yn-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CC(=O)CC2(CCC2)OC

DOS

IR

Vibrations