Geometry & MOs

Info

ID:	432360
PubChem CID:	135172493
Reduced:	ON2C20H42 (1)
Stoich.:	AB2C20D42 (1)
Weight, g/mol:	479.11687
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	4.18
IP(EA), eV:	-8.51(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[3-[4-(iodoamino)phenoxy]propoxy]butoxy]propoxy]propan-2-one

Drug info:

PubChemData

Smile

CCC1(CN(C1)C(C)C)CNCC(C)(CC)CC(C)(C)COC

DOS

IR

Vibrations