Geometry & MOs

Info

ID:	238737
PubChem CID:	92765324
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	455.314792
ΔH_f, kcal/mol:	25.97
Dipole, Da:	4.03
IP(EA), eV:	-8.04(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1-adamantyl)ethyl]-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CNCCN(C1)[C@@H]2CCSC3=CC=CC=C23

DOS

IR

Vibrations