Geometry & MOs

Info

ID:	170311
PubChem CID:	75215914
Reduced:	O7C30H38 (1)
Stoich.:	A7B30C38 (1)
Weight, g/mol:	232.142307
ΔH_f, kcal/mol:	-287.25
Dipole, Da:	5.23
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(6-amino-5-hydroxyhexanoyl)amino]acetate

Drug info:

PubChemData

Smile

CC(=CCC1C(C(C2C(C1O)C(=O)C3=C(O2)C4=C(C(C3)C(=C)C)C(=C(C=C4O)O)O)CC=C(C)C)O)C

DOS

IR

Vibrations