Geometry & MOs

Info

ID:	138910
PubChem CID:	52441778
Reduced:	O2F3N3C19H26 (1)
Stoich.:	A2B3C3D19E26 (1)
Weight, g/mol:	385.132382
ΔH_f, kcal/mol:	-236.99
Dipole, Da:	5.1
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)NC2=CC=CC(=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations