Geometry & MOs

Info

ID:	422450
PubChem CID:	135117848
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-63.09
Dipole, Da:	6.14
IP(EA), eV:	-9.29(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2CN(C2)C(=O)[C@@H]3CCCN3C(=O)C4CCCCC4)C

DOS

IR

Vibrations