Geometry & MOs

Info

ID:	158755
PubChem CID:	56468323
Reduced:	BrFO3N5H15C20 (1)
Stoich.:	ABC3D5E15F20 (1)
Weight, g/mol:	407.150601
ΔH_f, kcal/mol:	1.56
Dipole, Da:	7.2
IP(EA), eV:	-9.58(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(O3)COC4=CC(=CC=C4)Br)F

DOS

IR

Vibrations