Geometry & MOs

Info

ID:	324454
PubChem CID:	126677702
Reduced:	N5O6C23H25 (1)
Stoich.:	A5B6C23D25 (1)
Weight, g/mol:	341.138894
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	7.19
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbenzimidazol-5-yl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CC(=NO3)C(=O)NCCC4=CC(=NO4)C(=O)NO

DOS

IR

Vibrations