Geometry & MOs

Info

ID:	461
PubChem CID:	2793
Reduced:	ClON4C28H37 (1)
Stoich.:	ABC4D28E37 (1)
Weight, g/mol:	480.265589
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	5.0
IP(EA), eV:	-8.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations