Geometry & MOs

Info

ID:	398778
PubChem CID:	135035374
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	378.204239
ΔH_f, kcal/mol:	42.62
Dipole, Da:	1.91
IP(EA), eV:	-9.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-O-ethyl 1-O-methyl (2R,3R,4S)-2,4-dimethyl-5-oxo-3-phenylmethoxynonanedioate

Drug info:

PubChemData

Smile

C=CCCCCC#CC1=C(C=CC=N1)C=O

DOS

IR

Vibrations