Geometry & MOs

Info

ID:	330121
PubChem CID:	127247108
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	303.138305
ΔH_f, kcal/mol:	5.41
Dipole, Da:	5.0
IP(EA), eV:	-9.19(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methoxyphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations