Geometry & MOs

Info

ID:	379635
PubChem CID:	134452581
Reduced:	ClF2N5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	674.24571
ΔH_f, kcal/mol:	9.99
Dipole, Da:	5.8
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[4-(4-methylphenyl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(4-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N2C1=NC(=N2)C(F)F)C3=CC4=C(C(=C3)Cl)NN=C4)C

DOS

IR

Vibrations