Geometry & MOs

Info

ID:	83157
PubChem CID:	49857221
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	2.47
IP(EA), eV:	-8.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylpiperazin-1-yl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)CN3CCCCC3

DOS

IR

Vibrations