Geometry & MOs

Info

ID:	391315
PubChem CID:	135004283
Reduced:	NO7C21H26 (1)
Stoich.:	AB7C21D26 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-268.76
Dipole, Da:	1.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.148144
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-(furan-2-ylmethyl)-2-methyl-2H-pyridine-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C(=C(\C(=O)OC(C)(C)C)/[N+]1=CC=CC=C1)/C2=C(COC2=O)O

DOS

IR

Vibrations