Geometry & MOs

Info

ID:	208280
PubChem CID:	80511672
Reduced:	SN5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	251.120467
ΔH_f, kcal/mol:	91.23
Dipole, Da:	5.85
IP(EA), eV:	-8.92(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)pyrrolidin-1-yl]pyridazine-4-carbothioamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC2=C(C=CN=N2)C(=S)N

DOS

IR

Vibrations