Geometry & MOs

Info

ID:	55030
PubChem CID:	17389679
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	259.178358
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	2.61
IP(EA), eV:	-8.47(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;2-pentan-3-ylazepane

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2CCCCN2)OC

DOS

IR

Vibrations