Geometry & MOs

Info

ID:	440087
PubChem CID:	135229987
Reduced:	OF2N3C28H35 (1)
Stoich.:	AB2C3D28E35 (1)
Weight, g/mol:	261.97154
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	0.98
IP(EA), eV:	-8.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-5,6,7,8-tetrahydropteridine

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)N1CCCC1)/C(=C/C)/C(=C/2\C(=C)NCCN2CC3=C(C=CC(=C3O)F)F)/C

DOS

IR

Vibrations