Geometry & MOs

Info

ID:	189741
PubChem CID:	77898544
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	358.16166
ΔH_f, kcal/mol:	-103.63
Dipole, Da:	8.05
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CN(CC2C(=O)O)C(=O)CC3=NC=CN=C3

DOS

IR

Vibrations