Geometry & MOs

Info

ID:	82759
PubChem CID:	49856470
Reduced:	FO2N3C26H34 (1)
Stoich.:	AB2C3D26E34 (1)
Weight, g/mol:	415.283492
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	7.75
IP(EA), eV:	-8.25(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-1-[3,5-dimethyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations