Geometry & MOs

Info

ID:	326511
PubChem CID:	126687696
Reduced:	NOF3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	283.128054
ΔH_f, kcal/mol:	-215.74
Dipole, Da:	3.89
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-6-[(1R,2S)-1,2-dihydroxypropyl]-4-oxo-4a,5,6,7-tetrahydro-1H-pteridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC2=C(C=CC3=C2CCC3)C(F)(F)F)O

DOS

IR

Vibrations