Geometry & MOs

Info

ID:	206287
PubChem CID:	80225649
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-57.48
Dipole, Da:	5.08
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

CCCOC1=NC=NC(=C1N)N2CCN(C(=O)C2(C)C)C

DOS

IR

Vibrations