Geometry & MOs

Info

ID:	417602
PubChem CID:	135102193
Reduced:	N2S2O5C14H22 (1)
Stoich.:	A2B2C5D14E22 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-189.05
Dipole, Da:	7.4
IP(EA), eV:	-9.35(0.0)
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-propan-2-ylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations