Geometry & MOs

Info

ID:	224378
PubChem CID:	85342273
Reduced:	ClNOH8C10 (2)
Stoich.:	ABCD8E10 (2)
Weight, g/mol:	388.163436
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	9.33
IP(EA), eV:	-9.22(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,7-diacetamido-1,3,6,8-tetrahydro-as-indacene-2,7-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)Cl)C=CC(=O)O)C

DOS

IR

Vibrations