Geometry & MOs

Info

ID:	139020
PubChem CID:	52459476
Reduced:	ClN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	298.144806
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	3.27
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)[C@@H]3CC(=O)N(C3)C4CC4

DOS

IR

Vibrations