Geometry & MOs

Info

ID:	407548
PubChem CID:	135080295
Reduced:	FOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	230.107358
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	2.17
IP(EA), eV:	-9.04(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,2R)-2-chlorocycloheptyl]pentane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CC(C)(CO)F

DOS

IR

Vibrations