Geometry & MOs

Info

ID:	447641
PubChem CID:	135284407
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	450.260646
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	3.36
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-N-piperidin-4-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=C3C(=NC=C2)C=CN3)C#N)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations