Geometry & MOs

Info

ID:	264281
PubChem CID:	103450192
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	236.121258
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	1.83
IP(EA), eV:	-8.71(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-(1-hydroxycycloheptyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)C2(CCCCCC2)O

DOS

IR

Vibrations