Geometry & MOs

Info

ID:	407426
PubChem CID:	135080083
Reduced:	OC20H28 (1)
Stoich.:	AB20C28 (1)
Weight, g/mol:	457.261694
ΔH_f, kcal/mol:	0.72
Dipole, Da:	3.01
IP(EA), eV:	-9.21(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,5S)-2,7-dimethyl-4-oxo-5-(tritylamino)octanoate

Drug info:

PubChemData

Smile

CCC#CCCCCCCCC=O.C=CC1=CC=CC=C1

DOS

IR

Vibrations