Geometry & MOs

Info

ID:	323651
PubChem CID:	126675657
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	361.165108
ΔH_f, kcal/mol:	90.62
Dipole, Da:	5.15
IP(EA), eV:	-8.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N)CO

DOS

IR

Vibrations