Geometry & MOs

Info

ID:	314827
PubChem CID:	126623540
Reduced:	F4O4N8H26C31 (1)
Stoich.:	A4B4C8D26E31 (1)
Weight, g/mol:	219.053158
ΔH_f, kcal/mol:	-185.47
Dipole, Da:	6.79
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxycarbonylindole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN4C(=CC(=N4)C5CC5)N=C3)CC(=O)N6C[C@@H](C[C@H]6C(=O)NC7=NC(=CC=C7)OC(F)(F)F)F

DOS

IR

Vibrations