Geometry & MOs

Info

ID:	142064
PubChem CID:	52975648
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	321.106647
ΔH_f, kcal/mol:	-94.51
Dipole, Da:	3.2
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[(3-thiophen-2-ylpyrazolidin-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC(=O)N(NC1=O)CCC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43

DOS

IR

Vibrations