Geometry & MOs

Info

ID:	324347
PubChem CID:	126677480
Reduced:	SC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	346.073372
ΔH_f, kcal/mol:	19.81
Dipole, Da:	2.59
IP(EA), eV:	-8.45(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloropyridin-2-yl)-4-pyrrolo[3,2-c]pyridin-1-ylpyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/S)/C

DOS

IR

Vibrations