Geometry & MOs

Info

ID:	419504
PubChem CID:	135108320
Reduced:	FN5C17H22 (1)
Stoich.:	AB5C17D22 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	24.86
Dipole, Da:	2.64
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCC2CCN(C2)C3=CC=CC=C3F

DOS

IR

Vibrations