Geometry & MOs

Info

ID:	220456
PubChem CID:	85195422
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	6.61
IP(EA), eV:	-9.97(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-diazonio-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dien-2-olate

Drug info:

PubChemData

Smile

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C#N

DOS

IR

Vibrations