Geometry & MOs

Info

ID:	200232
PubChem CID:	79368253
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	2.74
IP(EA), eV:	-8.87(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-methyl-3,4,5,5a,10,10a-hexahydro-2H-indeno[2,1-b][1,4]thiazepine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2C(CCO2)CNC(C)C

DOS

IR

Vibrations