Geometry & MOs

Info

ID:	18388
PubChem CID:	540141
Reduced:	N6C23H40 (1)
Stoich.:	A6B23C40 (1)
Weight, g/mol:	400.331445
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	3.6
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-heptadecylpteridine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC1=CN=C2C(=N1)C(=NC(=N2)N)N

DOS

IR

Vibrations