Geometry & MOs

Info

ID:	50324
PubChem CID:	12012843
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	282.091689
ΔH_f, kcal/mol:	58.95
Dipole, Da:	4.6
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C(=NN=N2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations