Geometry & MOs

Info

ID:	449016
PubChem CID:	135295230
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	423.269102
ΔH_f, kcal/mol:	62.7
Dipole, Da:	1.49
IP(EA), eV:	-8.53(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[5-(5-ethyl-2,4-dimethyl-1H-phosphol-3-yl)-1,3-dimethyl-2H-pyridin-2-yl]-3-methylbutyl]cyclohexa-2,4-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1C(=C(ON1C)C)C2=CC3=C(C(=CN3)C4C=CC(=CC(=C4)C)C)N=C2

DOS

IR

Vibrations