Geometry & MOs

Info

ID:	421084
PubChem CID:	135115363
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	4.44
IP(EA), eV:	-9.22(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations