Geometry & MOs

Info

ID:	376631
PubChem CID:	134222652
Reduced:	FO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	471.252192
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	2.96
IP(EA), eV:	-8.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(3-aminooxetan-3-yl)phenyl]-5-phenylpyridin-3-yl]-2-[(2R)-2,6-dimethyloxan-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CC(C1)F)C2=CC=C(C=C2)C3=C(C=C(C=N3)N)C4=CC=CC=C4

DOS

IR

Vibrations