Geometry & MOs

Info

ID:	444898
PubChem CID:	135263892
Reduced:	O3N4H24C26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	462.195486
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	4.93
IP(EA), eV:	-9.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[2-(2-fluoro-5-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-methoxy-4-methylpyridin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)[C@@H](CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=CC=CC=C5)C=C3)N=N1

DOS

IR

Vibrations