Geometry & MOs

Info

ID:	407186
PubChem CID:	135079511
Reduced:	BrON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	392.0648
ΔH_f, kcal/mol:	35.75
Dipole, Da:	4.23
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N(C2CCC2)C(=O)C3=NN=C4C(=C3N)C=CC=C4Br

DOS

IR

Vibrations