Geometry & MOs

Info

ID:	58454
PubChem CID:	24701867
Reduced:	NC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	37.32
Dipole, Da:	3.78
IP(EA), eV:	-8.42(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetylphenoxy)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N(CCC#N)C2=CC=CC=C2

DOS

IR

Vibrations