Geometry & MOs

Info

ID:	441717
PubChem CID:	135241775
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	456.06374
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	2.95
IP(EA), eV:	-9.05(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-3-fluorophenyl)-diphenylmethyl]-7H-indazole

Drug info:

PubChemData

Smile

C1CC=C(C1)C2=CN=C(C=C2)CO

DOS

IR

Vibrations