Geometry & MOs

Info

ID:	234495
PubChem CID:	92298553
Reduced:	NO2C19H30 (2)
Stoich.:	AB2C19D30 (2)
Weight, g/mol:	660.486609
ΔH_f, kcal/mol:	-204.17
Dipole, Da:	5.48
IP(EA), eV:	-8.81(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2,5-bis(azepan-1-ylmethyl)-1,6-bis(4-pentoxyphenyl)hexane-1,6-dione

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C(=O)[C@@H](CC[C@@H](CNC(C)(C)C)C(=O)C2=CC=C(C=C2)OCCCCC)CNC(C)(C)C

DOS

IR

Vibrations