Geometry & MOs

Info

ID:	207708
PubChem CID:	80440967
Reduced:	SN2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	5.21
Dipole, Da:	7.41
IP(EA), eV:	-8.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-thione

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=S)N(N1)C(C)(C)C

DOS

IR

Vibrations