Geometry & MOs

Info

ID:	143454
PubChem CID:	53211017
Reduced:	BrO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	438.03275
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	4.51
IP(EA), eV:	-8.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[6-bromo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-3-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N3C=C(N=CC3=N2)Br)NC4=CC=CC(=C4)C(=O)OC

DOS

IR

Vibrations