Geometry & MOs

Info

ID:	329795
PubChem CID:	127246662
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	14.92
Dipole, Da:	4.44
IP(EA), eV:	-8.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-5-yl-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=CC4=CC=CC=C4OC3)C

DOS

IR

Vibrations