Geometry & MOs

Info

ID:	306099
PubChem CID:	125001640
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	437.259089
ΔH_f, kcal/mol:	-22.03
Dipole, Da:	2.84
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(C(=O)[C@@H]1CC2=CC(=CC=C2)C3=CN=CC=C3)CC=C)N4CCCC4

DOS

IR

Vibrations