Geometry & MOs

Info

ID:	158973
PubChem CID:	57244332
Reduced:	O2F5N6C29H33 (1)
Stoich.:	A2B5C6D29E33 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-216.9
Dipole, Da:	8.59
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4,7-dimethyl-1,3-dihydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=N1)N2C(=NN=N2)C(F)(F)F)C3=C[C@]4(CC[C@@H]([C@H]4C5=CC=C(C=C5)F)CNC(C)(C)CF)OC3

DOS

IR

Vibrations