Geometry & MOs

Info

ID:	316004
PubChem CID:	126629609
Reduced:	N6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	440.269988
ΔH_f, kcal/mol:	145.23
Dipole, Da:	1.86
IP(EA), eV:	-8.44(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3E,7E)-7-(4-fluorophenyl)-6-methyl-5,6-dihydrodiazocin-3-yl]piperazin-1-yl]-N-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CN=C(N=NC#N)N1CCN(CC1)C2=CC=CC=C2

DOS

IR

Vibrations