Geometry & MOs

Info

ID:	147084
PubChem CID:	53786731
Reduced:	ClNSO4H6C9 (1)
Stoich.:	ABCD4E6F9 (1)
Weight, g/mol:	205.085127
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	5.65
IP(EA), eV:	-9.65(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=C(N2)O)S(=O)(=O)Cl

DOS

IR

Vibrations