Geometry & MOs

Info

ID:	143431
PubChem CID:	53208268
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	-42.51
Dipole, Da:	3.12
IP(EA), eV:	-8.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2E)-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-3-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC2=C(N=C3N2C=CN=C3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations