Geometry & MOs

Info

ID:	421903
PubChem CID:	135116812
Reduced:	F3O3N4H17C18 (1)
Stoich.:	A3B3C4D17E18 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-185.37
Dipole, Da:	5.84
IP(EA), eV:	-9.92(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)(F)F

DOS

IR

Vibrations