Geometry & MOs

Info

ID:	324061
PubChem CID:	126676856
Reduced:	O3N5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	312.112344
ΔH_f, kcal/mol:	88.07
Dipole, Da:	6.3
IP(EA), eV:	-8.9(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C=C1)N3C=CC(=NC3=N2)C(=O)NC4=CC(=CN=C4)OC)C5=CC(=CCC=C5)OC

DOS

IR

Vibrations