Geometry & MOs

Info

ID:	309798
PubChem CID:	126559150
Reduced:	OC4N4H6 (1)
Stoich.:	AB4C4D6 (1)
Weight, g/mol:	398.303224
ΔH_f, kcal/mol:	28.84
Dipole, Da:	5.13
IP(EA), eV:	-9.54(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-yloxy-4-methylcyclohexyl)propan-2-yl 2-(3,3-dimethyl-2-oxopentoxy)acetate

Drug info:

PubChemData

Smile

CN1C(=C)NN=NC1=O

DOS

IR

Vibrations