Geometry & MOs

Info

ID:	147976
PubChem CID:	53787637
Reduced:	NO6C17H17 (1)
Stoich.:	AB6C17D17 (1)
Weight, g/mol:	640.365842
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	6.69
IP(EA), eV:	-9.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-ditert-butyl-4-[4-[2-[5-[[methyl(3-piperidin-3-ylpropyl)amino]methyl]pyridin-2-yl]oxyethyl]-1,3-oxazol-2-yl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)OC(C)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations