Geometry & MOs

Info

ID:	426483
PubChem CID:	135144423
Reduced:	ON5C26H35 (1)
Stoich.:	AB5C26D35 (1)
Weight, g/mol:	446.315795
ΔH_f, kcal/mol:	27.23
Dipole, Da:	7.84
IP(EA), eV:	-8.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)ethyl-methylamino]-2-[[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CN1CCCC1)NC2=CC(=C(C=C2)C#N)CN3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations