Geometry & MOs

Info

ID:	441289
PubChem CID:	135233982
Reduced:	O5N7C84H171 (1)
Stoich.:	A5B7C84D171 (1)
Weight, g/mol:	344.256274
ΔH_f, kcal/mol:	-553.77
Dipole, Da:	1.83
IP(EA), eV:	-8.85(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-butanoyloxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC(=O)CN(CC(CN(CCCCCCCCCCCCCC)CCCCN(CCCCCCCCCCCCCC)CC(CNCC(=O)NCCCCCCCCCCCC)O)O)CC(=O)NCCCCCCCCCCCCCC

DOS

IR

Vibrations