Geometry & MOs

Info

ID:	435864
PubChem CID:	135192604
Reduced:	NO2C37H49 (1)
Stoich.:	AB2C37D49 (1)
Weight, g/mol:	287.209658
ΔH_f, kcal/mol:	-39.01
Dipole, Da:	2.67
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylhexan-2-yloxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC(C)C(CC(C)(C)O/C/1=C/C2=C(/C=C\CC1)C=CC=C2C(CC(C)(C)C)CN)C3=CC=C(C4=CC=CC=C43)O

DOS

IR

Vibrations