Geometry & MOs

Info

ID:	60141
PubChem CID:	26675762
Reduced:	FN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	2.33
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-acetyl-4-methoxyphenoxy)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC3=NC=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations