Geometry & MOs

Info

ID:	176694
PubChem CID:	76083888
Reduced:	NO13C40H71 (1)
Stoich.:	AB13C40D71 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-624.7
Dipole, Da:	5.69
IP(EA), eV:	-8.95(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methylcyclohexyl)oxyimino-3-oxobutanoate

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=C)C)C)O)(C)O

DOS

IR

Vibrations