Geometry & MOs

Info

ID:	325008
PubChem CID:	126679210
Reduced:	ClPO4N8C42H44 (1)
Stoich.:	ABC4D8E42F44 (1)
Weight, g/mol:	295.10448
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	9.04
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)P(=O)(OCC2CN(CC(O2)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)Cl

DOS

IR

Vibrations