Geometry & MOs

Info

ID:	329704
PubChem CID:	127246571
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	26.9
Dipole, Da:	6.03
IP(EA), eV:	-9.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations