Geometry & MOs

Info

ID:	447746
PubChem CID:	135285288
Reduced:	ClFO3N4H20C25 (1)
Stoich.:	ABC3D4E20F25 (1)
Weight, g/mol:	492.136446
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	7.49
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCC(C1)N2C3=C(C=NC=C3)N(C2=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)F)Cl

DOS

IR

Vibrations