Geometry & MOs

Info

ID:	407185
PubChem CID:	135079510
Reduced:	IN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	374.07422
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	7.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766293
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(/C(C1=CC=CC=C1I)O)\[N+]#N)/O

DOS

IR

Vibrations