Geometry & MOs

Info

ID:	418839
PubChem CID:	135106944
Reduced:	N5O6C26H31 (1)
Stoich.:	A5B6C26D31 (1)
Weight, g/mol:	305.165188
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	4.84
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)NCC3CN(CCO3)CC4=C(C(=CC=C4)OC)OCC5=CN(CCO2)N=N5

DOS

IR

Vibrations