Geometry & MOs

Info

ID:	378985
PubChem CID:	134228766
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	378.206719
ΔH_f, kcal/mol:	51.44
Dipole, Da:	1.49
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-5-hexan-2-yl-2-(oxan-4-yloxy)phenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C=C)N2C(=O)N(N=N2)C

DOS

IR

Vibrations