Geometry & MOs

Info

ID:	425681
PubChem CID:	135127331
Reduced:	N2O7C54H106 (1)
Stoich.:	A2B7C54D106 (1)
Weight, g/mol:	393.433451
ΔH_f, kcal/mol:	-541.52
Dipole, Da:	1.97
IP(EA), eV:	-9.5(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[(2S)-2-methylbutyl]-10-(4-methylhexyl)-azacyclotetradecane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C(COC(=O)C(C)CC(C)(N)OC(C)(C)CCOC(C)(C)C)NC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations