Geometry & MOs

Info

ID:	313815
PubChem CID:	126618016
Reduced:	Cl2F3O4N8H29C32 (1)
Stoich.:	A2B3C4D8E29F32 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-168.61
Dipole, Da:	3.15
IP(EA), eV:	-9.55(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2,3-dihydro-1H-inden-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3CCOC(=O)C(F)(F)F)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations