Geometry & MOs

Info

ID:	187677
PubChem CID:	77607781
Reduced:	ClO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	286.159375
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	4.54
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluoropyridin-4-yl)-2,3-dimethyl-1-pyridin-2-ylpiperazine

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)NC3=CN=CC=C3)C(=O)NNC2CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations