Geometry & MOs

Info

ID:	325705
PubChem CID:	126684575
Reduced:	ON3C32H49 (1)
Stoich.:	AB3C32D49 (1)
Weight, g/mol:	421.320546
ΔH_f, kcal/mol:	-60.76
Dipole, Da:	2.14
IP(EA), eV:	-9.02(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-[3-[(5-methylpyridin-2-yl)methyl]pyrrolidin-1-yl]propyl]-6-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)CNCC2CCOCC2)CC(C)C3=CC=CC(=C3)CNC4CCC(CC4)N

DOS

IR

Vibrations