Geometry & MOs

Info

ID:	176145
PubChem CID:	76000906
Reduced:	SO2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	233.189198
ΔH_f, kcal/mol:	9.35
Dipole, Da:	5.97
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-ethylphenyl)pyrazolidin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3NC(CC(=O)N3)C4=CC=CC=C4

DOS

IR

Vibrations