Geometry & MOs

Info

ID:	155070
PubChem CID:	56320643
Reduced:	O2F3N5C23H24 (1)
Stoich.:	A2B3C5D23E24 (1)
Weight, g/mol:	477.23516
ΔH_f, kcal/mol:	-155.98
Dipole, Da:	8.3
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)NCCC3=NN(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations