Geometry & MOs

Info

ID:	323897
PubChem CID:	126676474
Reduced:	SF2N3O7C29H29 (1)
Stoich.:	AB2C3D7E29F29 (1)
Weight, g/mol:	336.181093
ΔH_f, kcal/mol:	-279.17
Dipole, Da:	6.09
IP(EA), eV:	-9.04(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)C#N)OCS(=O)(=O)C

DOS

IR

Vibrations