Geometry & MOs

Info

ID:	28267
PubChem CID:	826649
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	318.122441
ΔH_f, kcal/mol:	19.78
Dipole, Da:	1.92
IP(EA), eV:	-8.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[(4R)-4-methyl-4H-thieno[2,3-b][1,5]benzothiazepin-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H]2C3=CC=CC=C3COC4=CC=CC=C24

DOS

IR

Vibrations