Geometry & MOs

Info

ID:	346817
PubChem CID:	127271321
Reduced:	FN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	373.155018
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	1.93
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations