Geometry & MOs

Info

ID:	427150
PubChem CID:	135155729
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	489.191323
ΔH_f, kcal/mol:	-153.9
Dipole, Da:	1.83
IP(EA), eV:	-8.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC2=CC(=C(C=C2C3=C1COC3OC=O)OC)OCCCN4CCCC4

DOS

IR

Vibrations