Geometry & MOs

Info

ID:	315247
PubChem CID:	126625265
Reduced:	ClOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	358.309647
ΔH_f, kcal/mol:	-12.58
Dipole, Da:	0.88
IP(EA), eV:	-8.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-[3-[3,5-di(propan-2-yl)pyrazol-1-yl]butyl]-5-ethylpyrazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations