Geometry & MOs

Info

ID:	258572
PubChem CID:	103155290
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	273.168856
ΔH_f, kcal/mol:	-163.65
Dipole, Da:	4.71
IP(EA), eV:	-9.34(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1CC1)C(=O)CC(CN)OC

DOS

IR

Vibrations