Geometry & MOs

Info

ID:	362858
PubChem CID:	127309687
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	392.222369
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	2.41
IP(EA), eV:	-8.77(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorobenzoyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCCN2C(=O)NCC3CCCN3CCOC

DOS

IR

Vibrations