Geometry & MOs

Info

ID:	185305
PubChem CID:	77284159
Reduced:	FN4H10C11 (2)
Stoich.:	AB4C10D11 (2)
Weight, g/mol:	302.196743
ΔH_f, kcal/mol:	59.72
Dipole, Da:	2.4
IP(EA), eV:	-9.29(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-ethyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC12CCCCN1C3=NC(=NC=C3N4C2=NN=C4)N5C=CN=C5C6=C(C=C(C=C6)F)F

DOS

IR

Vibrations