Geometry & MOs

Info

ID:	266190
PubChem CID:	103558751
Reduced:	ClO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-64.63
Dipole, Da:	3.15
IP(EA), eV:	-9.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxycyclobutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations