Geometry & MOs

Info

ID:	322656
PubChem CID:	126670733
Reduced:	INOC6H12 (1)
Stoich.:	ABCD6E12 (1)
Weight, g/mol:	330.204239
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	4.69
IP(EA), eV:	-9.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-7-(3-methyl-2-oxopentan-3-yl)oxy-4-oxoheptan-3-yl]oxyethyl formate

Drug info:

PubChemData

Smile

CC(CCI)NC(=O)C

DOS

IR

Vibrations