Geometry & MOs

Info

ID:	378995
PubChem CID:	134228802
Reduced:	ClNH16C18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	298.124132
ΔH_f, kcal/mol:	64.54
Dipole, Da:	3.72
IP(EA), eV:	-8.18(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-ethyl-4-fluoro-2-[(2S)-2-fluoropropoxy]phenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

C1CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations