Geometry & MOs

Info

ID:	248095
PubChem CID:	103078897
Reduced:	OSN4C9H18 (1)
Stoich.:	ABC4D9E18 (1)
Weight, g/mol:	212.109568
ΔH_f, kcal/mol:	6.57
Dipole, Da:	6.74
IP(EA), eV:	-8.03(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(thian-3-yl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC(CCNC1=NN(C=C1N)C)S(=O)C

DOS

IR

Vibrations