Geometry & MOs

Info

ID:	258582
PubChem CID:	103155396
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	273.168856
ΔH_f, kcal/mol:	-164.54
Dipole, Da:	2.5
IP(EA), eV:	-9.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CC(CN)OC)C(=O)O

DOS

IR

Vibrations