Geometry & MOs

Info

ID:	343835
PubChem CID:	127267011
Reduced:	FON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	345.134951
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	2.25
IP(EA), eV:	-9.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNCC2=NC3=C(O2)C=CC(=C3)F

DOS

IR

Vibrations