Geometry & MOs

Info

ID:	318080
PubChem CID:	126648900
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	412.08508
ΔH_f, kcal/mol:	-122.45
Dipole, Da:	4.62
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-N-(3-chlorophenyl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=C(C(=NO3)C(=O)O)N(C(=O)NCC4=CC=CC=C4)O

DOS

IR

Vibrations