Geometry & MOs

Info

ID:	406446
PubChem CID:	135077658
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	172.091956
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	4.83
IP(EA), eV:	-8.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1CCC2=C(C1)C3=C(N2)C=CNC3=O

DOS

IR

Vibrations