Geometry & MOs

Info

ID:	270051
PubChem CID:	103624078
Reduced:	BrOSN2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	21.08
Dipole, Da:	3.53
IP(EA), eV:	-9.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-(2-hydroxyethyl)-1-propan-2-ylurea

Drug info:

PubChemData

Smile

CCCN(CC#N)C(=O)C1=CSC(=C1)Br

DOS

IR

Vibrations