Geometry & MOs

Info

ID:	45354
PubChem CID:	10511862
Reduced:	ClO2N3C6H8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	190.116921
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	4.06
IP(EA), eV:	-8.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2,2-difluorocyclohexan-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C(=N1)N)OC)Cl

DOS

IR

Vibrations