Geometry & MOs

Info

ID:	230131
PubChem CID:	87570277
Reduced:	NSO6C29H33 (1)
Stoich.:	ABC6D29E33 (1)
Weight, g/mol:	186.149404
ΔH_f, kcal/mol:	-140.98
Dipole, Da:	2.56
IP(EA), eV:	-8.35(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-dimethyl-(1-prop-2-enoyloxypropyl)azanium

Drug info:

PubChemData

Smile

CCN(CC(COC1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)SC)/C(=O)OC)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations