Geometry & MOs

Info

ID:	312619
PubChem CID:	126606831
Reduced:	ClF2N4O5C35H37 (1)
Stoich.:	AB2C4D5E35F37 (1)
Weight, g/mol:	256.182715
ΔH_f, kcal/mol:	-259.42
Dipole, Da:	2.8
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-1-(2,6-dimethylphenyl)-3-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC4[C@@H]([C@H]([C@@H](CO4)C)O)O)NC1=O)N5CCC(=CC5=O)C6=C(C=CC(=C6F)Cl)F

DOS

IR

Vibrations