Geometry & MOs

Info

ID:	379589
PubChem CID:	134448253
Reduced:	F2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	495.219829
ΔH_f, kcal/mol:	-203.86
Dipole, Da:	6.41
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dinaphthalen-1-ylmethyl 2-methyl-3-phenyl-2-pyrrol-1-ylpropanoate

Drug info:

PubChemData

Smile

CCCC1=C(C(=C(C=C1)OCC2=C3C(=CC(=C2)OC(F)F)C=C(O3)CCC)C)C

DOS

IR

Vibrations