Geometry & MOs

Info

ID:	174214
PubChem CID:	75741594
Reduced:	N2O5C22H37 (1)
Stoich.:	A2B5C22D37 (1)
Weight, g/mol:	295.274939
ΔH_f, kcal/mol:	-167.12
Dipole, Da:	2.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.223307
Charge, e:	1

Chem-info

IUPAC name:

4-(azepan-1-yl)-1-cycloheptylpiperidin-1-ium-3-ol

Drug info:

PubChemData

Smile

COCC1CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OCC(CN3CCOCC3)O

DOS

IR

Vibrations