Geometry & MOs

Info

ID:	157086
PubChem CID:	56422108
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	419.02808
ΔH_f, kcal/mol:	-88.06
Dipole, Da:	4.72
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-fluorophenyl)methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations