Geometry & MOs

Info

ID:	432380
PubChem CID:	135172513
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	451.08557
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	1.31
IP(EA), eV:	-8.38(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[4-[4-(methylamino)phenoxy]butoxy]ethoxy]ethoxy]acetyl iodide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)OCCCN2CCN(CC2)CCOC

DOS

IR

Vibrations