Geometry & MOs

Info

ID:	174850
PubChem CID:	75822491
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	396.07229
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	1.6
IP(EA), eV:	-8.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-bromo-4-fluorophenyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea

Drug info:

PubChemData

Smile

CCN(CC1CCOC1)C(=O)COC2=C(C=C(C=C2)C=CC)OC

DOS

IR

Vibrations