Geometry & MOs

Info

ID:	246054
PubChem CID:	103040757
Reduced:	ClFO2N4H10C11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	322.069134
ΔH_f, kcal/mol:	-57.34
Dipole, Da:	3.98
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1COC(=O)CN2C=NC(=N2)N)Cl)F

DOS

IR

Vibrations