Geometry & MOs

Info

ID:	372394
PubChem CID:	131296950
Reduced:	INO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	216.989033
ΔH_f, kcal/mol:	-82.92
Dipole, Da:	3.59
IP(EA), eV:	-8.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methoxycarbonyl-1,2,4-triazine-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C2[C@H](CCOC2=C1)N)I)O

DOS

IR

Vibrations