Geometry & MOs

Info

ID:	60245
PubChem CID:	26675980
Reduced:	O3N6C13H16 (1)
Stoich.:	A3B6C13D16 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	4.37
Dipole, Da:	2.31
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N\OCC2=NC(=NC(=N2)N)N)OC

DOS

IR

Vibrations