Geometry & MOs

Info

ID:	343887
PubChem CID:	127267063
Reduced:	F2O2N6H14C15 (1)
Stoich.:	A2B2C6D14E15 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	5.12
IP(EA), eV:	-9.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[2-oxo-2-(4-propylphenyl)ethyl]tetrazol-5-yl]propanoate

Drug info:

PubChemData

Smile

COC(=O)CCC1=NN(N=N1)CC2=NN(C=C2)C3=C(C=CC=C3F)F

DOS

IR

Vibrations