Geometry & MOs

Info

ID:	306301
PubChem CID:	125003671
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	420.207388
ΔH_f, kcal/mol:	-102.29
Dipole, Da:	5.66
IP(EA), eV:	-9.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)-1-[(2S)-2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)C1(CCOCC1)CC2=CC=C(C=C2)C3=CC=NC=C3)OC

DOS

IR

Vibrations