Geometry & MOs

Info

ID:	394331
PubChem CID:	135022777
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-94.22
Dipole, Da:	3.76
IP(EA), eV:	-9.24(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-1-[(E)-2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]prop-2-enoxy]ethenolate

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1CC=C[C@H]1C2=CC=CC=C2C3=NC=CN3)C(=O)OCC

DOS

IR

Vibrations