Geometry & MOs

Info

ID:	146860
PubChem CID:	53762887
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	465.042003
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	4.24
IP(EA), eV:	-9.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2C1CC(=O)O)C#N

DOS

IR

Vibrations