Geometry & MOs

Info

ID:	186035
PubChem CID:	77382761
Reduced:	ON2C29H30 (1)
Stoich.:	AB2C29D30 (1)
Weight, g/mol:	423.184586
ΔH_f, kcal/mol:	61.52
Dipole, Da:	2.11
IP(EA), eV:	-8.74(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(4-fluorophenyl)-11-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl]-3,5-dihydroxyhept-6-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations