Geometry & MOs

Info

ID:	342335
PubChem CID:	127265153
Reduced:	OSN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	77.79
Dipole, Da:	3.56
IP(EA), eV:	-9.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC(=CS2)C=CC3=NC=NC=C3

DOS

IR

Vibrations