Geometry & MOs

Info

ID:	448511
PubChem CID:	135291446
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	152.131349
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	2.93
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpentan-2-yl)-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(N2)CSC(=O)OCC3=CC=CC=C3)C(C)C(C)C

DOS

IR

Vibrations