Geometry & MOs

Info

ID:	221058
PubChem CID:	85256688
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	2.76
IP(EA), eV:	-9.46(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diazonio-1-(2-methyl-5-propan-2-ylcyclohexyl)oxy-2-nitroethenolate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(NC2C(C1=O)CC3=CC=CC=C23)C

DOS

IR

Vibrations