Geometry & MOs

Info

ID:	447647
PubChem CID:	135284456
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	449.229012
ΔH_f, kcal/mol:	42.17
Dipole, Da:	7.15
IP(EA), eV:	-9.29(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyridin-2-yl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NC=CC(=C2N1)C3=CC(=C(C=C3)OC[C@](C)(CC(C)C)N)C#N

DOS

IR

Vibrations