Geometry & MOs

Info

ID:	186872
PubChem CID:	77499086
Reduced:	N3C20H29 (1)
Stoich.:	A3B20C29 (1)
Weight, g/mol:	407.200905
ΔH_f, kcal/mol:	44.81
Dipole, Da:	1.42
IP(EA), eV:	-8.0(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3-fluorophenyl)phenyl]-[3-(furan-2-yl)pyrazolidin-4-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(CC1CC1)C2=C3C(CCCN3)CN(C2)CC4=CC=CC=C4

DOS

IR

Vibrations