Geometry & MOs

Info

ID:	403317
PubChem CID:	135059711
Reduced:	BrSO3N4C17H19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	194.084398
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	6.24
IP(EA), eV:	-9.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylbenzo[c]cinnoline

Drug info:

PubChemData

Smile

C1CC23CC1CC2N(S(=O)(=O)C3)C(=O)[C@@H]([C@@H](C4=CC=CC=C4)N=[N+]=[N-])Br

DOS

IR

Vibrations