Geometry & MOs

Info

ID:	158779
PubChem CID:	56468408
Reduced:	FO2N6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	419.119381
ΔH_f, kcal/mol:	-25.65
Dipole, Da:	11.18
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCC(C2=O)C(=O)NC3=CC(=C(C=C3)F)N4C(=NN=N4)C)C

DOS

IR

Vibrations