Geometry & MOs

Info

ID:	149569
PubChem CID:	53789242
Reduced:	O3F4N4H24C27 (1)
Stoich.:	A3B4C4D24E27 (1)
Weight, g/mol:	370.136908
ΔH_f, kcal/mol:	-180.3
Dipole, Da:	3.47
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-phenoxy-3-(2-phenylmethoxyphenyl)benzene

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)C2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F

DOS

IR

Vibrations