Geometry & MOs

Info

ID:	436137
PubChem CID:	135194058
Reduced:	O2F3N5C29H30 (1)
Stoich.:	A2B3C5D29E30 (1)
Weight, g/mol:	208.193949
ΔH_f, kcal/mol:	-155.34
Dipole, Da:	7.48
IP(EA), eV:	-8.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(3,3-dimethylbutyl)pyrazole

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1C)C=NC=C2)C(=O)NCC3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations