Geometry & MOs

Info

ID:	56235
PubChem CID:	17422746
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	101.1
Dipole, Da:	7.02
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(CCC#N)C#N

DOS

IR

Vibrations