Geometry & MOs

Info

ID:	423946
PubChem CID:	135120827
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	327.180758
ΔH_f, kcal/mol:	-168.29
Dipole, Da:	6.91
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OC

DOS

IR

Vibrations