Geometry & MOs

Info

ID:	3268
PubChem CID:	9417
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	21.61
Dipole, Da:	3.54
IP(EA), eV:	-8.42(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO

DOS

IR

Vibrations