Geometry & MOs

Info

ID:	138607
PubChem CID:	52393282
Reduced:	N2O7C17H22 (1)
Stoich.:	A2B7C17D22 (1)
Weight, g/mol:	317.186518
ΔH_f, kcal/mol:	-277.34
Dipole, Da:	6.77
IP(EA), eV:	-8.53(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl-methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CC(=O)N2CCOC[C@H]2CC(=O)O)OC

DOS

IR

Vibrations