Geometry & MOs

Info

ID:	659
PubChem CID:	3155
Reduced:	NSC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	295.139471
ΔH_f, kcal/mol:	55.23
Dipole, Da:	1.57
IP(EA), eV:	-8.32(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31

DOS

IR

Vibrations