Geometry & MOs

Info

ID:	436542
PubChem CID:	135205126
Reduced:	FO5N8C33H35 (1)
Stoich.:	AB5C8D33E35 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	8.15
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)C(=O)NCC2=C(C=C(C=C2)C3=C4C(=NN(C4=NC=C3)CC5=CC=C(C=C5)OC)N[C@@H]6CCN(C6)C(=O)O)F

DOS

IR

Vibrations