Geometry & MOs

Info

ID:	186882
PubChem CID:	77500727
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	563.287195
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	3.68
IP(EA), eV:	-8.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyano-2-phenylethyl)-1-(2-methylpropyl)-1-[2,2,2-trifluoro-1-[4-(4-piperazin-1-ylphenyl)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)NC2C3CN(CC3NN2)CC4=CC=CC=C4

DOS

IR

Vibrations