Geometry & MOs

Info

ID:	183994
PubChem CID:	77100898
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	3.84
IP(EA), eV:	-8.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN1CCCN2CCCC2C1)C(=O)OC

DOS

IR

Vibrations