Geometry & MOs

Info

ID:	83158
PubChem CID:	49857222
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	421.272927
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	5.19
IP(EA), eV:	-8.17(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-(4-phenylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations