Geometry & MOs

Info

ID:	419886
PubChem CID:	135109583
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	327.149538
ΔH_f, kcal/mol:	-186.59
Dipole, Da:	6.65
IP(EA), eV:	-9.53(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-fluoropyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CC[C@@H]([C@@](C1)(CC2=CC=CC=C2)C(=O)O)O

DOS

IR

Vibrations