Geometry & MOs

Info

ID:	157269
PubChem CID:	56422484
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	391.114376
ΔH_f, kcal/mol:	-98.04
Dipole, Da:	3.47
IP(EA), eV:	-8.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(trifluoromethyl)phenyl]methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations