Geometry & MOs

Info

ID:	444389
PubChem CID:	135262241
Reduced:	FO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	406.269239
ΔH_f, kcal/mol:	-206.28
Dipole, Da:	4.14
IP(EA), eV:	-9.55(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1,5-dimethyl-4-(3,4,4-trimethyl-2-oxoimidazolidin-1-yl)pyrazol-3-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C(C)CF)C.C(=O)(O)O

DOS

IR

Vibrations