Geometry & MOs

Info

ID:	244430
PubChem CID:	99350812
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	420.184921
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	6.04
IP(EA), eV:	-8.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(2-fluorophenyl)furan-2-yl]-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations