Geometry & MOs

Info

ID:	183823
PubChem CID:	77074721
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	2.35
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-propylpiperazin-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CC=C(C)C(=O)OC

DOS

IR

Vibrations