Geometry & MOs

Info

ID:	217170
PubChem CID:	85087367
Reduced:	SO3N5H9C15 (1)
Stoich.:	AB3C5D9E15 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	131.36
Dipole, Da:	2.12
IP(EA), eV:	-9.11(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxy-1-oxopropan-2-yl) 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)C=CC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations