Geometry & MOs

Info

ID:	55011
PubChem CID:	17389656
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-192.26
Dipole, Da:	4.17
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;2-propylazepane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCCN2.C(=O)(C(=O)O)O

DOS

IR

Vibrations