Geometry & MOs

Info

ID:	344221
PubChem CID:	127267397
Reduced:	FON4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	307.180839
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	3.75
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2C[C@H](C[C@H]2CNC(=O)C=C)F

DOS

IR

Vibrations