Geometry & MOs

Info

ID:	27569
PubChem CID:	822236
Reduced:	O2F3N4H11C15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	4.52
IP(EA), eV:	-9.57(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-4-phenylmethoxypteridin-2-amine

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F

DOS

IR

Vibrations