Geometry & MOs

Info

ID:	180934
PubChem CID:	76706679
Reduced:	NYC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	307.214744
ΔH_f, kcal/mol:	121.25
Dipole, Da:	1.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.947385
Charge, e:	0

Chem-info

IUPAC name:

N-[2,5-dimethyl-6-(3-methyl-4-oxobut-2-enyl)oxan-3-yl]-4-methylpent-2-enamide

Drug info:

PubChemData

Smile

[CH-]=CC=[C-]C1=CC=CC=C1CN.[Y]

DOS

IR

Vibrations