Geometry & MOs

Info

ID:	312255
PubChem CID:	126603908
Reduced:	F4O13C52H72 (1)
Stoich.:	A4B13C52D72 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-765.17
Dipole, Da:	7.89
IP(EA), eV:	-9.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-5-amino-2-hydroxy-5-(3-methoxyphenyl)penta-2,4-dienal

Drug info:

Smile

CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)OC(=O)OCC(C)(COC(=O)COC3CC/C=C\C(CC3)(F)F)COC(=O)COC4CCC#CC(CC4)(F)F)O)O

DOS

IR

Vibrations