Geometry & MOs

Info

ID:	437525
PubChem CID:	135226512
Reduced:	FNO5H12C17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-187.0
Dipole, Da:	5.19
IP(EA), eV:	-9.8(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[7-(aminomethyl)imidazo[1,2-b]pyrazol-5-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2F)/C=C/C(=O)O)C(=O)O

DOS

IR

Vibrations