Geometry & MOs

Info

ID:	207393
PubChem CID:	80391215
Reduced:	F2O2N3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	282.092832
ΔH_f, kcal/mol:	-141.49
Dipole, Da:	2.27
IP(EA), eV:	-9.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2,4-difluorophenyl)methyl]tetrazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)CC(=O)NNC(=O)N

DOS

IR

Vibrations