Geometry & MOs

Info

ID:	77538
PubChem CID:	49655253
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-176.61
Dipole, Da:	6.42
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(2,5-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)COC2=COC(=CC2=O)CN3CCC(=O)CC3

DOS

IR

Vibrations