Geometry & MOs

Info

ID:	381774
PubChem CID:	134972602
Reduced:	C6H7 (2)
Stoich.:	A6B7 (2)
Weight, g/mol:	218.93513
ΔH_f, kcal/mol:	99.74
Dipole, Da:	2.11
IP(EA), eV:	-8.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(oxomethyl)benzonitrile;yttrium

Drug info:

PubChemData

Smile

C=CCCC[C]C1=CC=CC=C1

DOS

IR

Vibrations