Geometry & MOs

Info

ID:	313082
PubChem CID:	126611744
Reduced:	BrO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	264.044775
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	2.03
IP(EA), eV:	-9.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropropyl)-3-[5-(methoxyamino)-1,3-thiazol-2-yl]urea

Drug info:

PubChemData

Smile

CCCOCC(C1=CC(=C(C=C1)Br)CC)O

DOS

IR

Vibrations