Geometry & MOs

Info

ID:	284919
PubChem CID:	104083378
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-161.99
Dipole, Da:	4.77
IP(EA), eV:	-9.42(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-ethylazepan-1-yl)hexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)N(CC)CCOCC

DOS

IR

Vibrations