Geometry & MOs

Info

ID:	259285
PubChem CID:	103162413
Reduced:	BrO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	312.112837
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	4.92
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=CC3=C(C=C2Br)OCCCO3

DOS

IR

Vibrations