Geometry & MOs

Info

ID:	422528
PubChem CID:	135117989
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-95.78
Dipole, Da:	5.32
IP(EA), eV:	-9.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)CC2=CC=C(C=C2)C3=CN=CC=C3)C(=O)O

DOS

IR

Vibrations