Geometry & MOs

Info

ID:	175136
PubChem CID:	75859463
Reduced:	O2F3N4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	423.20323
ΔH_f, kcal/mol:	-205.77
Dipole, Da:	4.88
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-[2-(4-methoxyphenoxy)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations