Geometry & MOs

Info

ID:	467
PubChem CID:	2801
Reduced:	ClN2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	314.154976
ΔH_f, kcal/mol:	32.36
Dipole, Da:	4.85
IP(EA), eV:	-8.55(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations