Geometry & MOs

Info

ID:	139021
PubChem CID:	52460685
Reduced:	ClN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	298.144806
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	3.12
IP(EA), eV:	-9.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-ethyl-2-hydroxybutyl)urea

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)N[C@@H](C)C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations