Geometry & MOs

Info

ID:	447747
PubChem CID:	135285301
Reduced:	ClFO3N4H22C26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	486.226705
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	3.52
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-[4-(3-methylphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CC(=O)N1CC[C@@H](C1)N2C3=C(C=NC=C3)N(C2=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5F)Cl

DOS

IR

Vibrations