Geometry & MOs

Info

ID:	324054
PubChem CID:	126676842
Reduced:	N7H11C17 (1)
Stoich.:	A7B11C17 (1)
Weight, g/mol:	359.095315
ΔH_f, kcal/mol:	193.64
Dipole, Da:	6.4
IP(EA), eV:	-9.31(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfanylpyrimidin-4-yl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NN3C=CC=C3C(=N2)N4C=NC5=C4C=CN=C5

DOS

IR

Vibrations