Geometry & MOs

Info

ID:	421954
PubChem CID:	135116908
Reduced:	ON3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	3.48
IP(EA), eV:	-8.63(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CCCCC3=CC=CC=C3

DOS

IR

Vibrations