Geometry & MOs

Info

ID:	334995
PubChem CID:	127253801
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	425.158685
ΔH_f, kcal/mol:	-177.26
Dipole, Da:	5.04
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1,3-benzodioxol-5-yl)-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations