Geometry & MOs

Info

ID:	397938
PubChem CID:	135031072
Reduced:	NF2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	260.08373
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	4.22
IP(EA), eV:	-9.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[a]anthracene-2,3-diol

Drug info:

PubChemData

Smile

C1CCC2(CC1)C=NC3=C2C=C(C=C3F)F

DOS

IR

Vibrations