Geometry & MOs

Info

ID:	323947
PubChem CID:	126676655
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	386.160357
ΔH_f, kcal/mol:	-43.83
Dipole, Da:	4.78
IP(EA), eV:	-8.17(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2C1=NC(=CN2)C3=CC=C(C=C3)OCC4=CC=CC=C4)CCC(=O)O

DOS

IR

Vibrations