Geometry & MOs

Info

ID:	149738
PubChem CID:	53789413
Reduced:	OSN2H14C17 (2)
Stoich.:	ABC2D14E17 (2)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	79.12
Dipole, Da:	5.46
IP(EA), eV:	-8.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-formylphenyl) 3-methoxy-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=NN=C2SCC5=CC=CC=C5)SCC6=CC=CC=C6

DOS

IR

Vibrations