Geometry & MOs

Info

ID:	305869
PubChem CID:	124971735
Reduced:	SF3N5H20C22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	6.73
IP(EA), eV:	-8.93(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=NC=C1)N2CCC[C@H]2C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)F

DOS

IR

Vibrations