Geometry & MOs

Info

ID:	402614
PubChem CID:	135056571
Reduced:	FO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	218.08777
ΔH_f, kcal/mol:	-153.51
Dipole, Da:	4.63
IP(EA), eV:	-9.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-2H-1,3-benzothiazine

Drug info:

PubChemData

Smile

C1COC2(O1)CC(C3=C2C=CC=C3F)O

DOS

IR

Vibrations