Geometry & MOs

Info

ID:	422176
PubChem CID:	135117344
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-123.87
Dipole, Da:	4.72
IP(EA), eV:	-9.55(-0.67)
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'-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=C(C=C(C=C3)Cl)OC

DOS

IR

Vibrations