Geometry & MOs

Info

ID:	82032
PubChem CID:	49855507
Reduced:	ClON6C24H27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	57.02
Dipole, Da:	2.74
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCC4(CCC4)CC3CNC5=NC=C(C=C5)Cl

DOS

IR

Vibrations