Geometry & MOs

Info

ID:	28378
PubChem CID:	827283
Reduced:	SN2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	329.100499
ΔH_f, kcal/mol:	53.4
Dipole, Da:	0.91
IP(EA), eV:	-7.86(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-chloro-N-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)[C@@H](CC3=CC=CC=C3S2)N4CCNCC4

DOS

IR

Vibrations