Geometry & MOs

Info

ID:	258722
PubChem CID:	103156615
Reduced:	N2O2C11H22 (1)
Stoich.:	A2B2C11D22 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	4.87
IP(EA), eV:	-9.17(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-amino-3-methoxybutanoyl)-methylamino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1CCN(C1)C(=O)CC(CN)OC

DOS

IR

Vibrations