Geometry & MOs

Info

ID:	407943
PubChem CID:	135080698
Reduced:	NPH4O4C5F6 (1)
Stoich.:	ABC4D4E5F6 (1)
Weight, g/mol:	254.075451
ΔH_f, kcal/mol:	-536.87
Dipole, Da:	2.19
IP(EA), eV:	-11.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(difluoromethoxy)-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

C(C(F)(F)F)OP(=O)(N=C=O)OCC(F)(F)F

DOS

IR

Vibrations