Geometry & MOs

Info

ID:	37148
PubChem CID:	8017510
Reduced:	ClN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	309.0404
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	4.33
IP(EA), eV:	-9.75(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CN=C(C=C4)Cl

DOS

IR

Vibrations