Geometry & MOs

Info

ID:	297671
PubChem CID:	117625249
Reduced:	OC10H10 (3)
Stoich.:	AB10C10 (3)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	4.69
IP(EA), eV:	-8.78(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(2-methoxy-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)-4-(6-morpholin-4-ylpyridin-3-yl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CO)C(C3=CC=C(C=C3)CO)C4=CC=C(C=C4)OC

DOS

IR

Vibrations