Geometry & MOs

Info

ID:	335598
PubChem CID:	127254460
Reduced:	OF3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	447.190654
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	8.95
IP(EA), eV:	-8.79(-0.77)
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-(5-phenyl-1H-pyrazol-4-yl)propanoate

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations