Geometry & MOs

Info

ID:	143453
PubChem CID:	53211016
Reduced:	BrOF3N4H12C19 (1)
Stoich.:	ABC3D4E12F19 (1)
Weight, g/mol:	452.0484
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	5.99
IP(EA), eV:	-9.07(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=C(N3C=C(N=CC3=N2)Br)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations