Geometry & MOs

Info

ID:	175525
PubChem CID:	75917412
Reduced:	N2O5C26H30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	340.139862
ΔH_f, kcal/mol:	-170.03
Dipole, Da:	1.69
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenoxy)-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3(CCOCC3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations