Geometry & MOs

Info

ID:	341429
PubChem CID:	127264122
Reduced:	Cl2O4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	323.011599
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	2.63
IP(EA), eV:	-9.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8,8-dichloro-3-oxa-4-azatetracyclo[9.4.0.02,6.07,9]pentadeca-1(15),2(6),4,11,13-pentaene-5-carboxylate

Drug info:

PubChemData

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COC(=O)C(=O)C1CC2C(C2(Cl)Cl)C3=CC=CC=C3C1=O

DOS

IR

Vibrations