Geometry & MOs

Info

ID:	315947
PubChem CID:	126629476
Reduced:	ON4C27H32 (1)
Stoich.:	AB4C27D32 (1)
Weight, g/mol:	510.272987
ΔH_f, kcal/mol:	64.48
Dipole, Da:	4.98
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(7R,8R,9S)-7-benzyl-8-butyl-9-methyl-2-oxooxonan-3-yl]carbamoyl]-4-methoxypyridin-3-yl] acetate

Drug info:

PubChemData

Smile

CC#CC1=CC(=CN=C1)C2=CC(=C(C=C2)C)C3(N=C(C(=N3)N)C)C4(CCC(CC4)OC)C

DOS

IR

Vibrations