Geometry & MOs

Info

ID:	397009
PubChem CID:	135029594
Reduced:	CSN3H6 (1)
Stoich.:	ABC3D6 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	41.69
Dipole, Da:	6.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767065
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-oxo-2,2-bis(prop-2-enyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

C(=S)([NH3+])NN

DOS

IR

Vibrations