Geometry & MOs

Info

ID:	343886
PubChem CID:	127267062
Reduced:	O2F3N3C15H20 (1)
Stoich.:	A2B3C3D15E20 (1)
Weight, g/mol:	348.11463
ΔH_f, kcal/mol:	-249.64
Dipole, Da:	3.39
IP(EA), eV:	-10.2(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]tetrazol-5-yl]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=CC(=O)N1CC(=O)NC2CCCCCC2)C(F)(F)F

DOS

IR

Vibrations