Geometry & MOs

Info

ID:	54971
PubChem CID:	17389605
Reduced:	N3O4C14H27 (1)
Stoich.:	A3B4C14D27 (1)
Weight, g/mol:	211.204848
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	2.28
IP(EA), eV:	-8.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2CCCCCN2.C(=O)(C(=O)O)O

DOS

IR

Vibrations