Geometry & MOs

Info

ID:	383989
PubChem CID:	134976123
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	188.101271
ΔH_f, kcal/mol:	-191.04
Dipole, Da:	2.38
IP(EA), eV:	-9.79(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one

Drug info:

PubChemData

Smile

C[C@H](CC(=O)C(C)C)[C@@H](C)C(=O)OC(C)(C)C

DOS

IR

Vibrations