Geometry & MOs

Info

ID:	147232
PubChem CID:	53786886
Reduced:	ClSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	2.5
IP(EA), eV:	-8.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-diaminoquinolin-8-yl)methanol

Drug info:

PubChemData

Smile

C1COCCN1CCS(=O)(=O)N2CC3=C(C=CC(=C3)Cl)NC[C@H]2CC4=CC=CC=C4

DOS

IR

Vibrations