Geometry & MOs

Info

ID:	335678
PubChem CID:	127254540
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	465.151155
ΔH_f, kcal/mol:	32.45
Dipole, Da:	6.65
IP(EA), eV:	-8.62(-0.45)
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-(trifluoromethoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CCCCCN2C=CC=C2)C3=NNN=N3

DOS

IR

Vibrations