Geometry & MOs

Info

ID:	416225
PubChem CID:	135089235
Reduced:	ON7C19H21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	73.0
Dipole, Da:	3.37
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)CN4N=C5C=CC=CC5=N4

DOS

IR

Vibrations