Geometry & MOs

Info

ID:	265885
PubChem CID:	103555994
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	300.01612
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	2.82
IP(EA), eV:	-9.27(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=CC=C(C3=CC=CC=C32)Br

DOS

IR

Vibrations