Geometry & MOs

Info

ID:	5551
PubChem CID:	13316
Reduced:	BrNSC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	375.06563
ΔH_f, kcal/mol:	40.46
Dipole, Da:	4.09
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-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)Br

DOS

IR

Vibrations