Geometry & MOs

Info

ID:	317914
PubChem CID:	126647599
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	358.309647
ΔH_f, kcal/mol:	4.72
Dipole, Da:	5.93
IP(EA), eV:	-9.53(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylhexyl)-1-[4-(3-methyl-1-propylpyrazol-4-yl)butan-2-yl]pyrazole

Drug info:

PubChemData

Smile

CC(=O)/C(=C\C1=C(C=C(C=C1)C#N)OC)/C(=O)N=NN

DOS

IR

Vibrations