Geometry & MOs

Info

ID:	304586
PubChem CID:	124756356
Reduced:	OF2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	2.82
IP(EA), eV:	-8.63(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propoxyphenyl)-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)[C@@H]1CCN(C1)CCC(=O)NC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations