Geometry & MOs

Info

ID:	45991
PubChem CID:	10520113
Reduced:	NSO2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	325.155705
ΔH_f, kcal/mol:	9.81
Dipole, Da:	4.94
IP(EA), eV:	-8.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dicyclopropylmethylideneamino)oxy-2-hydroxypropyl]-(5-methylpyridin-2-yl)azanium;chloride

Drug info:

PubChemData

Smile

COC/C(=C\SCC1=CC=C(C=C1)C#N)/C2=CC=C(C=C2)OC

DOS

IR

Vibrations