Geometry & MOs

Info

ID:	142147
PubChem CID:	52990914
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	306.221975
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	3.12
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-pyrrolidin-1-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3COC4=CC=CC=C4O3)C

DOS

IR

Vibrations