Geometry & MOs

Info

ID:	189976
PubChem CID:	77935619
Reduced:	O2C9H16 (3)
Stoich.:	A2B9C16 (3)
Weight, g/mol:	452.278741
ΔH_f, kcal/mol:	-312.29
Dipole, Da:	4.82
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylazetidin-3-yl)-3-[methyl(oxan-4-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCCC(=CCCOC1=C(C(=O)OC1C(CO)O)O)C

DOS

IR

Vibrations