Geometry & MOs

Info

ID:	159333
PubChem CID:	57269582
Reduced:	NO3F6H13C16 (1)
Stoich.:	AB3C6D13E16 (1)
Weight, g/mol:	417.110971
ΔH_f, kcal/mol:	-391.9
Dipole, Da:	5.17
IP(EA), eV:	-9.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C#CC1(C2=C(C=CC(=C2)OC(F)(F)F)NC(=O)O1)CC(F)(F)F

DOS

IR

Vibrations