Geometry & MOs

Info

ID:	324204
PubChem CID:	126677136
Reduced:	BrNO4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	315.007404
ΔH_f, kcal/mol:	-190.75
Dipole, Da:	4.29
IP(EA), eV:	-9.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[2-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxybenzonitrile

Drug info:

PubChemData

Smile

CCCCOC(=O)CN(CC1=CC=C(C=C1)Br)C(=O)OC(C)(C)C

DOS

IR

Vibrations