Geometry & MOs

Info

ID:	225209
PubChem CID:	85747936
Reduced:	ClNH3C6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	305.081384
ΔH_f, kcal/mol:	68.24
Dipole, Da:	4.23
IP(EA), eV:	-9.51(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-methoxycarbonylbenzo[a]heptalene-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C3C=CC(=CC3=NN=C2C=C1Cl)Cl

DOS

IR

Vibrations