Geometry & MOs

Info

ID:	139452
PubChem CID:	52532820
Reduced:	ClO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	374.16085
ΔH_f, kcal/mol:	9.12
Dipole, Da:	11.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033905
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-1-[(2R)-2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-1-methylurea

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C(C1)N(N=C2)CCO)[NH2+]CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations