Geometry & MOs

Info

ID:	339575
PubChem CID:	127261565
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	316.163436
ΔH_f, kcal/mol:	-40.07
Dipole, Da:	3.44
IP(EA), eV:	-8.28(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-acetyloxyethyl-(6-amino-6-oxohexanoyl)amino]ethyl acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCN(CCC3=CNC4=CC=CC=C43)C(=O)CCCCC(=O)N

DOS

IR

Vibrations