Geometry & MOs

Info

ID:	427851
PubChem CID:	135164444
Reduced:	ON7C25H25 (1)
Stoich.:	AB7C25D25 (1)
Weight, g/mol:	425.185175
ΔH_f, kcal/mol:	88.3
Dipole, Da:	2.77
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]spiro[1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-13,3'-2H-indene]-1'-one

Drug info:

PubChemData

Smile

C1CC2=NC3=C(N2C4(C1)COC5=CC=CC=C45)N=C(C=C3)C6=CN=C(N=C6)N7CCNCC7

DOS

IR

Vibrations