Geometry & MOs

Info

ID:	323635
PubChem CID:	126675627
Reduced:	SF3N3O5H26C27 (1)
Stoich.:	AB3C3D5E26F27 (1)
Weight, g/mol:	373.176342
ΔH_f, kcal/mol:	-263.22
Dipole, Da:	5.44
IP(EA), eV:	-10.06(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1(CC1)C#N)NC(=O)C2=C(C3=C(O2)C=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F

DOS

IR

Vibrations