Geometry & MOs

Info

ID:	335553
PubChem CID:	127254415
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	491.216869
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	5.03
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations