Geometry & MOs

Info

ID:	438406
PubChem CID:	135228144
Reduced:	N6O6C27H40 (1)
Stoich.:	A6B6C27D40 (1)
Weight, g/mol:	331.235873
ΔH_f, kcal/mol:	-202.65
Dipole, Da:	8.47
IP(EA), eV:	-8.63(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-methyl-3-[3-methyl-3-(2-methylpropoxy)butoxy]pentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)[C@H](C(C)C)NC(=O)COCNOCC

DOS

IR

Vibrations