Geometry & MOs

Info

ID:	54977
PubChem CID:	17389612
Reduced:	N2O8C17H30 (1)
Stoich.:	A2B8C17D30 (1)
Weight, g/mol:	210.209599
ΔH_f, kcal/mol:	-377.66
Dipole, Da:	13.07
IP(EA), eV:	-9.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpiperidin-1-yl)methyl]azepane

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCCCN2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations