Geometry & MOs

Info

ID:	333878
PubChem CID:	127252430
Reduced:	F3N5C15H16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	3.35
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2(CCCN2C3=NC=CC=N3)C)C(F)(F)F

DOS

IR

Vibrations