Geometry & MOs

Info

ID:	45675
PubChem CID:	10516423
Reduced:	ClNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	187.087138
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	2.43
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-2H-pyrimido[2,1-b][1,3]benzoxazol-5-ium

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)O

DOS

IR

Vibrations