Geometry & MOs

Info

ID:	140894
PubChem CID:	52778769
Reduced:	ClNOC11H13 (2)
Stoich.:	ABCD11E13 (2)
Weight, g/mol:	338.10089
ΔH_f, kcal/mol:	-64.61
Dipole, Da:	3.36
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methyl]-1-methyl-3-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@H]1CCCN(C1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations