Geometry & MOs

Info

ID:	437162
PubChem CID:	135215340
Reduced:	NOC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	816.25992
ΔH_f, kcal/mol:	2.45
Dipole, Da:	5.54
IP(EA), eV:	-9.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CC=C(C(=C1)C#N)O

DOS

IR

Vibrations