Geometry & MOs

Info

ID:	54557
PubChem CID:	17388889
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-130.24
Dipole, Da:	8.26
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC=CC=N3)C.C(=O)(C(=O)O)O

DOS

IR

Vibrations