Geometry & MOs

Info

ID:	375456
PubChem CID:	131529789
Reduced:	NOSH3C5 (2)
Stoich.:	ABCD3E5 (2)
Weight, g/mol:	214.121846
ΔH_f, kcal/mol:	9.25
Dipole, Da:	9.21
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,7-dimethylindazol-3-yl)amino]propanenitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1C2=NC=C3N2C=CS3)C(=O)O

DOS

IR

Vibrations