Geometry & MOs

Info

ID:	317467
PubChem CID:	126638255
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	297.051634
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	4.91
IP(EA), eV:	-9.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(O1)C=NC=C3)NC(=C2C4=CC5=C(C=C4)NN=C5)C(=O)O)C

DOS

IR

Vibrations