Geometry & MOs

Info

ID:	54899
PubChem CID:	17389509
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-124.38
Dipole, Da:	1.49
IP(EA), eV:	-8.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;4-(3-pyridin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(C3=CC=CC=C3N2)CCCCN.C(=O)(C(=O)O)O

DOS

IR

Vibrations