Geometry & MOs

Info

ID:	259277
PubChem CID:	103162391
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	2.8
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations