Geometry & MOs

Info

ID:	340471
PubChem CID:	127262482
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-17.23
Dipole, Da:	3.16
IP(EA), eV:	-9.05(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-1,4-dien-1-ylmethyl 1H-pyridazine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C/C(=C/2\C3=CC=CC=C3C(=O)NN2)/C=CC1=O

DOS

IR

Vibrations