Geometry & MOs

Info

ID:	28143
PubChem CID:	825825
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-116.37
Dipole, Da:	7.34
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC[C@H](C[N+](=O)[O-])OC2=CC=C(C=C2)OC

DOS

IR

Vibrations