Geometry & MOs

Info

ID:	233263
PubChem CID:	89449562
Reduced:	O2N3C10H13 (2)
Stoich.:	A2B3C10D13 (2)
Weight, g/mol:	208.05964
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	4.84
IP(EA), eV:	-8.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)methoxy methanimidate

Drug info:

PubChemData

Smile

CCOC(C)N1C=C(C=N1)C2=C(C=NN3C2=CC(=C3)NC(=O)OC(C)(C)C)NC=O

DOS

IR

Vibrations