Geometry & MOs

Info

ID:	207405
PubChem CID:	80392222
Reduced:	NOC12H27 (1)
Stoich.:	ABC12D27 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	2.65
IP(EA), eV:	-8.85(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(3-methylbutan-2-yloxy)pyrazole-4-carbothioamide

Drug info:

PubChemData

Smile

CC(C)CNCCCOC(C)C(C)C

DOS

IR

Vibrations