Geometry & MOs

Info

ID:	418928
PubChem CID:	135107143
Reduced:	FO2N4C10H17 (1)
Stoich.:	AB2C4D10E17 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	2.13
IP(EA), eV:	-8.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-fluoro-1H-benzimidazol-2-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC=C1F)NCCOCCO

DOS

IR

Vibrations