Geometry & MOs

Info

ID:	60247
PubChem CID:	26675982
Reduced:	FN2O4H21C25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-40.19
Dipole, Da:	1.14
IP(EA), eV:	-8.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-(2-methylphenyl)methylideneamino]oxymethyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N\OCC2=NC=C(O2)C3=CC=C(C=C3)F)OCC4=CC=CC=C4

DOS

IR

Vibrations