Geometry & MOs

Info

ID:	378782
PubChem CID:	134224881
Reduced:	OC29H32 (1)
Stoich.:	AB29C32 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	2.11
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=CC=CC=C2C3=C1C=C(C=C3)CC(C)(C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations