Geometry & MOs

Info

ID:	194075
PubChem CID:	78478352
Reduced:	O4H11C13 (1)
Stoich.:	A4B11C13 (1)
Weight, g/mol:	343.177016
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787236
Charge, e:	1

Chem-info

IUPAC name:

2-[[4-cyano-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCOC(=O)C=CC(=O)[O-]

DOS

IR

Vibrations