Geometry & MOs

Info

ID:	447750
PubChem CID:	135285315
Reduced:	ClFO3N4H20C25 (1)
Stoich.:	ABC3D4E20F25 (1)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	6.84
IP(EA), eV:	-9.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyphenoxy)phenyl]-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CC[C@H](C1)N2C3=C(C=NC=C3)N(C2=O)C4=CC(=C(C=C4)OC5=CC(=CC=C5)Cl)F

DOS

IR

Vibrations