Geometry & MOs

Info

ID:	142130
PubChem CID:	52986768
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	360.207388
ΔH_f, kcal/mol:	28.06
Dipole, Da:	7.37
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1C(NNC1NC(=O)CCCN2C=NC=N2)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations