Geometry & MOs

Info

ID:	168435
PubChem CID:	74967607
Reduced:	ClO2N7C13H14 (1)
Stoich.:	AB2C7D13E14 (1)
Weight, g/mol:	428.125988
ΔH_f, kcal/mol:	34.64
Dipole, Da:	1.29
IP(EA), eV:	-8.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-methoxyphenyl)-12-oxotetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-3,4-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NNC(=O)C2=C3NNN(C(=O)N3C=N2)CCCl

DOS

IR

Vibrations