Geometry & MOs

Info

ID:	80052
PubChem CID:	49832484
Reduced:	N2O6H12C15 (1)
Stoich.:	A2B6C12D15 (1)
Weight, g/mol:	377.156184
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	6.71
IP(EA), eV:	-9.4(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-ethyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]oxy-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1[N+](=O)[O-])OC#C)OC)N2C(=O)C=CC2=O

DOS

IR

Vibrations