Geometry & MOs

Info

ID:	45375
PubChem CID:	10512269
Reduced:	NF3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	4.98
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyloxypropan-2-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(F)(F)F)NCC2

DOS

IR

Vibrations