Geometry & MOs

Info

ID:	147047
PubChem CID:	53786524
Reduced:	SCl2N2H18C20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	454.136749
ΔH_f, kcal/mol:	68.65
Dipole, Da:	5.04
IP(EA), eV:	-8.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylpropan-1-ol

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)SCC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3

DOS

IR

Vibrations