Geometry & MOs

Info

ID:	221366
PubChem CID:	85272316
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	-34.49
Dipole, Da:	4.16
IP(EA), eV:	-9.65(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-phenylpyrazolidine-4-carbothioamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=O)C2=CC=CC(C2=N1)OC

DOS

IR

Vibrations