Geometry & MOs

Info

ID:	157270
PubChem CID:	56422485
Reduced:	F3N3O3H16C19 (1)
Stoich.:	A3B3C3D16E19 (1)
Weight, g/mol:	401.0375
ΔH_f, kcal/mol:	-209.23
Dipole, Da:	7.73
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32)C(F)(F)F

DOS

IR

Vibrations