Geometry & MOs

Info

ID:	265880
PubChem CID:	103555949
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	287.98196
ΔH_f, kcal/mol:	-105.8
Dipole, Da:	3.44
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)CC2(CCC2)OC

DOS

IR

Vibrations