Geometry & MOs

Info

ID:	54553
PubChem CID:	17388883
Reduced:	FON2C24H25 (1)
Stoich.:	ABC2D24E25 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-14.37
Dipole, Da:	1.87
IP(EA), eV:	-8.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)F)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations