Geometry & MOs

Info

ID:	132670
PubChem CID:	51397112
Reduced:	NO2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	280.08345
ΔH_f, kcal/mol:	-43.75
Dipole, Da:	1.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758961
Charge, e:	-1

Chem-info

IUPAC name:

6-methyl-5-oxo-3-[(E)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazin-7-olate

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)[NH2+][C@H](C)[C@@H](C2=CC=C(C=C2)O)O

DOS

IR

Vibrations