Geometry & MOs

Info

ID:	140759
PubChem CID:	52754512
Reduced:	N3O5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	366.155512
ΔH_f, kcal/mol:	-187.78
Dipole, Da:	7.34
IP(EA), eV:	-9.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-phenylethyl]-3-[(1R)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C[C@@H]1CCCN(C1)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations