Geometry & MOs

Info

ID:	5542
PubChem CID:	13304
Reduced:	NSC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	281.123821
ΔH_f, kcal/mol:	55.74
Dipole, Da:	2.25
IP(EA), eV:	-8.34(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCCC=C1C2=CC=CC=C2CSC3=CC=CC=C31

DOS

IR

Vibrations