Geometry & MOs

Info

ID:	159893
PubChem CID:	57288863
Reduced:	N3C18H23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	536.310202
ΔH_f, kcal/mol:	51.35
Dipole, Da:	1.84
IP(EA), eV:	-8.42(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 2-fluoro-3-(2-fluoro-4-nonylphenyl)-4-phenylbenzenecarboperoxoate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(CC2=CC=CC=C2N)C3=CC=CC=C3

DOS

IR

Vibrations