Geometry & MOs

Info

ID:	433941
PubChem CID:	135174088
Reduced:	ClN5C19H20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	471.213121
ΔH_f, kcal/mol:	73.19
Dipole, Da:	4.7
IP(EA), eV:	-8.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-amino-7-(1H-indol-5-yl)-8-oxo-9-propan-2-ylpurin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC2=NC=CC3=NC(=CN=C32)CN4CCCC4

DOS

IR

Vibrations