Geometry & MOs

Info

ID:	297762
PubChem CID:	117629358
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	40.09
Dipole, Da:	6.29
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=CC=C1)N2C3=CC=CC=C3N=N2)O

DOS

IR

Vibrations