Geometry & MOs

Info

ID:	264280
PubChem CID:	103449999
Reduced:	BrOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	3.21
IP(EA), eV:	-9.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxycycloheptyl)-2-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(=CC1)C(=O)CC2=CC=CC=C2Br

DOS

IR

Vibrations