Geometry & MOs

Info

ID:	54970
PubChem CID:	17389604
Reduced:	NC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	301.200156
ΔH_f, kcal/mol:	-30.8
Dipole, Da:	2.63
IP(EA), eV:	-8.49(2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpiperazin-1-yl)methyl]azepane;oxalic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCCN2

DOS

IR

Vibrations