Geometry & MOs

Info

ID:	418658
PubChem CID:	135106509
Reduced:	NF3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	300.231397
ΔH_f, kcal/mol:	-280.49
Dipole, Da:	6.24
IP(EA), eV:	-9.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(cyclobutylmethyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations