Geometry & MOs

Info

ID:	414606
PubChem CID:	135087565
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	327.115381
ΔH_f, kcal/mol:	-119.56
Dipole, Da:	3.66
IP(EA), eV:	-8.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CC=C(C=C3)OCCO)CO

DOS

IR

Vibrations