Geometry & MOs

Info

ID:	297980
PubChem CID:	117644520
Reduced:	FO5N9C24H30 (1)
Stoich.:	AB5C9D24E30 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-133.14
Dipole, Da:	5.41
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-pyrazol-1-ylpropyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1CCC1)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)OCCOC)N4N=CC=N4)C(=O)N)F)NC(=O)O

DOS

IR

Vibrations