Geometry & MOs

Info

ID:	73542
PubChem CID:	48418080
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	378.18559
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	3.9
IP(EA), eV:	-9.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-(3-methylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)Cl

DOS

IR

Vibrations