Geometry & MOs

Info

ID:	317951
PubChem CID:	126647971
Reduced:	OSN5C27H33 (1)
Stoich.:	ABC5D27E33 (1)
Weight, g/mol:	428.29266
ΔH_f, kcal/mol:	91.91
Dipole, Da:	7.57
IP(EA), eV:	-7.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E,8E)-11-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-4,8-dimethylundeca-4,8-dienylidene]propane-1,3-diol

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C=CC2=C(N=CN=C21)C3=CC(=CC=C3)C4(CC5=C(C4)C=NC=C5)CN

DOS

IR

Vibrations