Geometry & MOs

Info

ID:	172350
PubChem CID:	75497202
Reduced:	SN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	329.07389
ΔH_f, kcal/mol:	-51.35
Dipole, Da:	10.72
IP(EA), eV:	-9.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-2-methylpyridin-3-yl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=CC(=C(C=C2)C)NC(=O)N(CC#C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations