Geometry & MOs

Info

ID:	164651
PubChem CID:	74432042
Reduced:	FN3O3C29H34 (1)
Stoich.:	AB3C3D29E34 (1)
Weight, g/mol:	420.03481
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	4.37
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3,3,4,4-tetrafluoro-1-phenylmethoxybutan-2-yl)oxymethylbenzene

Drug info:

PubChemData

Smile

CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(C(=O)N3)C

DOS

IR

Vibrations