Geometry & MOs

Info

ID:	139800
PubChem CID:	52597213
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	384.228717
ΔH_f, kcal/mol:	-92.58
Dipole, Da:	6.34
IP(EA), eV:	-8.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-cyclopentyloxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)COC1=CC=C(C=C1)NC(=O)N[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations