Geometry & MOs

Info

ID:	55002
PubChem CID:	17389645
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-161.94
Dipole, Da:	11.54
IP(EA), eV:	-9.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;2-propan-2-ylazepane

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C2CCCCCN2.C(=O)(C(=O)O)O

DOS

IR

Vibrations