Geometry & MOs

Info

ID:	291850
PubChem CID:	113585051
Reduced:	BrClOF3N3H8C9 (1)
Stoich.:	ABCD3E3F8G9 (1)
Weight, g/mol:	376.95614
ΔH_f, kcal/mol:	-157.42
Dipole, Da:	6.15
IP(EA), eV:	-9.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2-bromoprop-2-enylamino)-2-(cyclobutylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C=C(CNC1=C(C(=O)N(N=C1)CC(F)(F)F)Br)Cl

DOS

IR

Vibrations