Geometry & MOs

Info

ID:	10828
PubChem CID:	108333
Reduced:	ClON2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	322.181191
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	5.22
IP(EA), eV:	-9.1(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4,4a,6,11,11a-octahydrobenzo[c][1]benzazepin-5-yl)-2-(dimethylamino)ethanone;hydrochloride

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CC2=CC=CC=C2CC3C1CCCC3.Cl

DOS

IR

Vibrations