Geometry & MOs

Info

ID:	195531
PubChem CID:	78695689
Reduced:	NO3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	315.243639
ΔH_f, kcal/mol:	-208.28
Dipole, Da:	5.06
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(azepan-1-ium-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CNC(=O)CN(C)C(=O)COC(=O)C=CC1=CC2=C(C=C1)OCCCO2

DOS

IR

Vibrations