Geometry & MOs

Info

ID:	383852
PubChem CID:	134975855
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	176.156501
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	6.47
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=NC(=C(C2=C1CCC(=O)N2)C#N)N

DOS

IR

Vibrations