Geometry & MOs

Info

ID:	160899
PubChem CID:	57390172
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	282.122909
ΔH_f, kcal/mol:	-143.69
Dipole, Da:	7.72
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-amino-7H-purin-6-yl)amino]phenyl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OCCCN4CCCC4

DOS

IR

Vibrations