Geometry & MOs

Info

ID:	330115
PubChem CID:	127247102
Reduced:	FN4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	298.190595
ΔH_f, kcal/mol:	18.93
Dipole, Da:	3.96
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)F)CN3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations