Geometry & MOs

Info

ID:	175685
PubChem CID:	75936844
Reduced:	Cl2N2O2C18H23 (1)
Stoich.:	A2B2C2D18E23 (1)
Weight, g/mol:	382.05037
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	2.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.069583
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-1-methyl-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)CC1=C(C=C(C=C1)Cl)Cl)C2=CC=CO2

DOS

IR

Vibrations