Geometry & MOs

Info

ID:	284478
PubChem CID:	104049589
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	312.112837
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	4.52
IP(EA), eV:	-8.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-chloro-3,5-dimethylphenoxy)-2,2-dimethyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(=O)CN1C(=NC2=C1CCCC2)C

DOS

IR

Vibrations