Geometry & MOs

Info

ID:	50326
PubChem CID:	12012845
Reduced:	ON4F5H7C15 (1)
Stoich.:	AB4C5D7E15 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	4.44
IP(EA), eV:	-10.28(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-adamantyl)tetrazol-5-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=NN=NN2CC3=C(C(=C(C(=C3F)F)F)F)F

DOS

IR

Vibrations