Geometry & MOs

Info

ID:	217292
PubChem CID:	85087563
Reduced:	NO3C21H35 (1)
Stoich.:	AB3C21D35 (1)
Weight, g/mol:	349.108086
ΔH_f, kcal/mol:	-155.32
Dipole, Da:	3.29
IP(EA), eV:	-9.66(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-chloro-2-cyano-5-(3,4-dimethoxyphenyl)penta-2,4-dienoate

Drug info:

PubChemData

Smile

CC(=NO)C1CCC2(C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

DOS

IR

Vibrations