Geometry & MOs

Info

ID:	419320
PubChem CID:	135107974
Reduced:	N2S2O6C17H22 (1)
Stoich.:	A2B2C6D17E22 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-182.9
Dipole, Da:	1.54
IP(EA), eV:	-9.73(-1.73)
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]-[3-(1H-pyrazol-4-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)S(=O)(=O)C3=CC=C(S3)C4=CC=NO4)OC[C@@H]1O)O

DOS

IR

Vibrations