Geometry & MOs

Info

ID:	79839
PubChem CID:	49830754
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	2.51
Dipole, Da:	4.17
IP(EA), eV:	-7.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-(cyclopropylamino)-7H-purin-2-yl]amino]phenyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC3=C(C=CC(=C3N2)C(=O)N)NCCN

DOS

IR

Vibrations