Geometry & MOs

Info

ID:	368858
PubChem CID:	127330818
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	397.284161
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	3.44
IP(EA), eV:	-8.35(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C2=CC=CC=N2)NC(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations