Geometry & MOs

Info

ID:	444435
PubChem CID:	135262415
Reduced:	O3N7H17C19 (1)
Stoich.:	A3B7C17D19 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	26.19
Dipole, Da:	3.96
IP(EA), eV:	-9.13(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2=NN3C=CC=C3C(=N2)NC4=CC(=NC=C4)NC(=O)OC

DOS

IR

Vibrations