Geometry & MOs

Info

ID:	415118
PubChem CID:	135088104
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-64.58
Dipole, Da:	5.24
IP(EA), eV:	-9.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=NNC4=C3COCC4

DOS

IR

Vibrations