Geometry & MOs

Info

ID:	89781
PubChem CID:	49964483
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	410.03784
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	1.51
IP(EA), eV:	-9.18(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[3-(4-bromophenyl)imino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1N2C=NC3(C2=O)C4CC5CC(C4)CC3C5)C

DOS

IR

Vibrations