Geometry & MOs

Info

ID:	253371
PubChem CID:	103118002
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	27.5
Dipole, Da:	6.88
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carbothioamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C(=S)N

DOS

IR

Vibrations