Geometry & MOs

Info

ID:	318461
PubChem CID:	126651438
Reduced:	O4N7C27H39 (1)
Stoich.:	A4B7C27D39 (1)
Weight, g/mol:	326.127994
ΔH_f, kcal/mol:	-155.13
Dipole, Da:	8.57
IP(EA), eV:	-8.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CCCN=C(NC(=O)O)N(C(=O)OC(C)(C)C)C(C)(C)C)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations