Geometry & MOs

Info

ID:	175352
PubChem CID:	75886767
Reduced:	ClON2F3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	362.143543
ΔH_f, kcal/mol:	-154.29
Dipole, Da:	5.01
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-chloro-3-fluorophenyl)-3-(2-phenyl-2-pyrrolidin-1-ium-1-ylethyl)urea

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)NC2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations