Geometry & MOs

Info

ID:	203346
PubChem CID:	79815473
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	9.37
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(2,5-dimethyl-1H-pyrazol-3-ylidene)-5-ethoxyimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC(C)CC(C)(CNC1=NC(=C(C=C1)[N+](=O)[O-])N)O

DOS

IR

Vibrations