Geometry & MOs

Info

ID:	341035
PubChem CID:	127263470
Reduced:	ClSN2O5C13H13 (1)
Stoich.:	ABC2D5E13F13 (1)
Weight, g/mol:	232.096026
ΔH_f, kcal/mol:	-190.04
Dipole, Da:	6.29
IP(EA), eV:	-9.56(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(1-methyl-2-oxoquinolin-6-yl)urea

Drug info:

PubChemData

Smile

C1COCCN1C2=C3C(=NC=C2C(=O)O)C(=CS3)C(=O)O.Cl

DOS

IR

Vibrations