Geometry & MOs

Info

ID:	404527
PubChem CID:	135066684
Reduced:	NSSiO4C28H39 (1)
Stoich.:	ABCD4E28F39 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-196.58
Dipole, Da:	8.85
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(1,3-benzodioxol-5-yl)-2-ethyl-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@@H](C[C@]23CCCC3=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations