Geometry & MOs

Info

ID:	313757
PubChem CID:	126617433
Reduced:	O2N5H11C12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	550.263171
ΔH_f, kcal/mol:	18.83
Dipole, Da:	6.38
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-2H-chromen-6-yl)-5-[2-[(2-fluoro-3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1C(=O)N=CN2)C3=CN(N=C3)CCO

DOS

IR

Vibrations