Geometry & MOs

Info

ID:	197631
PubChem CID:	78983848
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-160.26
Dipole, Da:	4.44
IP(EA), eV:	-8.89(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(E)-but-2-enoyl]piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CCCC(C)C(=O)N1CCN(CC1)CCC(=O)OC

DOS

IR

Vibrations