Geometry & MOs

Info

ID:	324053
PubChem CID:	126676838
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	313.107593
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	3.42
IP(EA), eV:	-9.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazo[4,5-c]pyridin-1-yl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3

DOS

IR

Vibrations