Geometry & MOs

Info

ID:	130848
PubChem CID:	51116724
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	402.187875
ΔH_f, kcal/mol:	12.66
Dipole, Da:	3.05
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC2=NN=C(N2C1)CNC(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations