Geometry & MOs

Info

ID:	447749
PubChem CID:	135285312
Reduced:	F3O4N5H24C28 (1)
Stoich.:	A3B4C5D24E28 (1)
Weight, g/mol:	478.120796
ΔH_f, kcal/mol:	-213.35
Dipole, Da:	5.02
IP(EA), eV:	-8.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-chlorophenoxy)-3-fluorophenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C4=C(C=CN=C4)N(C3=O)C5CCN(C5)C(=O)C=C)C(F)(F)F

DOS

IR

Vibrations