Geometry & MOs

Info

ID:	440195
PubChem CID:	135230105
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	384.214803
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	2.7
IP(EA), eV:	-8.23(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethenyl 4-O-[4-(5-hydroxy-2,5-dimethylhexan-2-yl)oxy-2,3-dimethyl-4-oxobutan-2-yl] (Z)-but-2-enedioate

Drug info:

PubChemData

Smile

CCCCC(C)C(=O)N(CO)C1=CC=C(C=C1)NC

DOS

IR

Vibrations