Geometry & MOs

Info

ID:	269166
PubChem CID:	103616205
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-68.97
Dipole, Da:	4.65
IP(EA), eV:	-9.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1CCN(C2C1CCCC2)C(=O)C3=NNC(=O)C=C3

DOS

IR

Vibrations