Geometry & MOs

Info

ID:	323962
PubChem CID:	126676677
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	362.196743
ΔH_f, kcal/mol:	-44.58
Dipole, Da:	5.69
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2C=C(C=C(C2=O)C(=O)NC)Br

DOS

IR

Vibrations