Geometry & MOs

Info

ID:	217561
PubChem CID:	85088003
Reduced:	ClFO3N5H15C16 (1)
Stoich.:	ABC3D5E15F16 (1)
Weight, g/mol:	375.062198
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	4.47
IP(EA), eV:	-9.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-4-methyl-11,17-dinitro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7(12),8,10,15,17-hexaene

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)Cl)C(=O)NC2=CC(=C(C=C2)F)COC3=NC=CN=C3

DOS

IR

Vibrations