Geometry & MOs

Info

ID:	136063
PubChem CID:	51973884
Reduced:	ClN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	367.13322
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780262
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-(2,4-dimethoxyphenyl)-7-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations