Geometry & MOs

Info

ID:	409561
PubChem CID:	135082343
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	-22.3
Dipole, Da:	4.16
IP(EA), eV:	-8.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C=C2)CNCCNC3=CC=CC=C3)OC1=O

DOS

IR

Vibrations