Geometry & MOs

Info

ID:	418497
PubChem CID:	135105280
Reduced:	ClN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	1.39
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=CC=CC=C3Cl)CO

DOS

IR

Vibrations