Geometry & MOs

Info

ID:	378987
PubChem CID:	134228770
Reduced:	FN4O5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-189.47
Dipole, Da:	2.92
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-butyl-2-(tetrazol-1-yl)phenoxy]propane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1F)OC2C(CCCO2)OC(=O)C)N3C(=O)N(N=N3)C

DOS

IR

Vibrations