Geometry & MOs

Info

ID:	324188
PubChem CID:	126677097
Reduced:	ClFN4O5C30H32 (1)
Stoich.:	ABC4D5E30F32 (1)
Weight, g/mol:	388.121864
ΔH_f, kcal/mol:	-171.85
Dipole, Da:	4.79
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)C(=O)N(C)CCOC)F)OCC3=NN(C4=C3C=CC=N4)C(=O)OC(C)(C)C

DOS

IR

Vibrations