Geometry & MOs

Info

ID:	139773
PubChem CID:	52593444
Reduced:	O2F3N3C19H26 (1)
Stoich.:	A2B3C3D19E26 (1)
Weight, g/mol:	392.197417
ΔH_f, kcal/mol:	-248.23
Dipole, Da:	6.57
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(2-phenoxyphenyl)urea

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations