Geometry & MOs

Info

ID:	169905
PubChem CID:	75165918
Reduced:	N9O10C50H75 (1)
Stoich.:	A9B10C50D75 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-456.95
Dipole, Da:	6.83
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-2-prop-2-enoxyprop-2-enal

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(=O)NC2CCCNC(=O)C3CC(CN3C(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC2=O)C(C)O)CCC5=CC=C(C=C5)O)CCCCN)N

DOS

IR

Vibrations