Geometry & MOs

Info

ID:	6067
PubChem CID:	14395
Reduced:	ClNSC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	331.116149
ΔH_f, kcal/mol:	28.09
Dipole, Da:	2.69
IP(EA), eV:	-8.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCCC1C2=CC=CC=C2CSC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations