Geometry & MOs

Info

ID:	374978
PubChem CID:	131408381
Reduced:	NO3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	177.06506
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	3.59
IP(EA), eV:	-8.97(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methylimidazol-4-ylidene)-1,2-dihydrotriazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)C2=CC(=CO2)N

DOS

IR

Vibrations