Geometry & MOs

Info

ID:	158753
PubChem CID:	56468318
Reduced:	FON3H8C11 (2)
Stoich.:	ABC3D8E11 (2)
Weight, g/mol:	459.07062
ΔH_f, kcal/mol:	13.51
Dipole, Da:	7.2
IP(EA), eV:	-9.47(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F)F

DOS

IR

Vibrations