Geometry & MOs

Info

ID:	30256
PubChem CID:	841050
Reduced:	ClN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	203.076871
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	4.55
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6,7,8,9-tetrahydrobenzo[e][1,3]benzothiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=NNC(=O)[C@H](C)OC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations