Geometry & MOs

Info

ID:	178900
PubChem CID:	76399157
Reduced:	ON4C23H32 (1)
Stoich.:	AB4C23D32 (1)
Weight, g/mol:	293.190341
ΔH_f, kcal/mol:	-3.82
Dipole, Da:	7.39
IP(EA), eV:	-8.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2C(CNN2)CN3CCC(CC3)(C4=NC=C(C=C4)C)O

DOS

IR

Vibrations