Geometry & MOs

Info

ID:	82643
PubChem CID:	49856278
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-90.77
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations