Geometry & MOs

Info

ID:	324239
PubChem CID:	126677210
Reduced:	FO2N7H22C23 (1)
Stoich.:	AB2C7D22E23 (1)
Weight, g/mol:	385.06506
ΔH_f, kcal/mol:	1.31
Dipole, Da:	1.8
IP(EA), eV:	-8.55(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(NC4)O)C5=C(C=CC=C5F)C#N)C(=O)N

DOS

IR

Vibrations