Geometry & MOs

Info

ID:	448992
PubChem CID:	135295022
Reduced:	FN2C28H37 (1)
Stoich.:	AB2C28D37 (1)
Weight, g/mol:	453.185766
ΔH_f, kcal/mol:	-15.95
Dipole, Da:	3.3
IP(EA), eV:	-7.76(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(cyclohexylmethyl)-3-(2,4-dimethyl-1-phosphacyclopenta-2,4,5-trien-3-yl)quinolin-8-yl]benzoic acid

Drug info:

PubChemData

Smile

CCC(=C(C)C)/C(=C/C)/C=C/1\C(=C)C(=CN1CC2(CCCCC2)F)C3=CC(=CC=C3)N

DOS

IR

Vibrations