Geometry & MOs

Info

ID:	341880
PubChem CID:	127264573
Reduced:	O5C32H50 (1)
Stoich.:	A5B32C50 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-285.67
Dipole, Da:	6.45
IP(EA), eV:	-9.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-2-oxo-3-pyridin-3-ylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](C(=O)C(C)C)OC(=O)C)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O

DOS

IR

Vibrations