Geometry & MOs

Info

ID:	271545
PubChem CID:	103683060
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	299.093977
ΔH_f, kcal/mol:	-77.91
Dipole, Da:	1.77
IP(EA), eV:	-8.59(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(4-nitrophenyl)urea

Drug info:

PubChemData

Smile

CCOC1CC(C1(C)C)NCC2=CC=C(C=C2)OCC

DOS

IR

Vibrations