Geometry & MOs

Info

ID:	259390
PubChem CID:	103164989
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	3.77
IP(EA), eV:	-9.43(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-ethoxycyclobutyl)acetyl]piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)NC(CN)C(C)C

DOS

IR

Vibrations