Geometry & MOs

Info

ID:	320231
PubChem CID:	126658828
Reduced:	Cl2N3O4C34H45 (1)
Stoich.:	A2B3C4D34E45 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-168.47
Dipole, Da:	5.67
IP(EA), eV:	-8.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yl-4-(6-propan-2-ylpyridin-2-yl)oxy-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCC(C)CC(C)CCOC(=O)N1C(=O)C=CC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations