Geometry & MOs

Info

ID:	336800
PubChem CID:	127255807
Reduced:	OCl2N2F3C6H7 (1)
Stoich.:	AB2C2D3E6F7 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-247.17
Dipole, Da:	2.52
IP(EA), eV:	-9.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3,3-dimethyl-1H-inden-2-one

Drug info:

PubChemData

Smile

C1=CN=C(C=C1OC(F)(F)F)N.Cl.Cl

DOS

IR

Vibrations