Geometry & MOs

Info

ID:	168809
PubChem CID:	75021006
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	401.161406
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	4.87
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-3-[4-(trifluoromethoxy)phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)OC)NCC(C2CCCN2CC3=CC(=CC=C3)C#N)O

DOS

IR

Vibrations