Geometry & MOs

Info

ID:	377922
PubChem CID:	134223988
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	-194.32
Dipole, Da:	13.23
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(E)-1,5-dimethoxy-1-phenylmethoxyhex-3-en-3-yl]-4-oxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4COC4

DOS

IR

Vibrations