Geometry & MOs

Info

ID:	158771
PubChem CID:	56468367
Reduced:	BrClFON5H10C15 (1)
Stoich.:	ABCDE5F10G15 (1)
Weight, g/mol:	423.066508
ΔH_f, kcal/mol:	34.53
Dipole, Da:	6.28
IP(EA), eV:	-9.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenoxy)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl)F

DOS

IR

Vibrations