Geometry & MOs

Info

ID:	427141
PubChem CID:	135155690
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	506.186652
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	6.06
IP(EA), eV:	-8.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-5-fluorophenyl]methyl]-5,5-diphenylimidazol-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(COC3)C(=N2)Cl)OCCCN4CCCC4

DOS

IR

Vibrations