Geometry & MOs

Info

ID:	324523
PubChem CID:	126677813
Reduced:	ClPO5N6C35H44 (1)
Stoich.:	ABC5D6E35F44 (1)
Weight, g/mol:	281.138894
ΔH_f, kcal/mol:	-199.88
Dipole, Da:	9.33
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1-methylindazol-6-yl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CN(CC(O2)COP(=O)(N(CCCN)CCCN)Cl)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations