Geometry & MOs

Info

ID:	418423
PubChem CID:	135104660
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	377.196408
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	6.09
IP(EA), eV:	-8.93(-0.49)
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]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CS1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations