Geometry & MOs

Info

ID:	437980
PubChem CID:	135227433
Reduced:	O2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	456.106117
ΔH_f, kcal/mol:	19.23
Dipole, Da:	4.01
IP(EA), eV:	-9.05(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,5-bis(trifluoromethyl)phenyl]-3-methylphenanthro[9,10-b]pyrazine

Drug info:

PubChemData

Smile

C1C2C(O2)CC3=CC=CC=C31.C1C2C(O2)C3=CC=CC=C31

DOS

IR

Vibrations