Geometry & MOs

Info

ID:	345906
PubChem CID:	127270206
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	339.149538
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	3.7
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]spiro[2H-indole-3,1'-cyclobutane]

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C(=O)N3CCC(C3)NC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations