Geometry & MOs

Info

ID:	318240
PubChem CID:	126649978
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	321.133808
ΔH_f, kcal/mol:	-153.13
Dipole, Da:	6.2
IP(EA), eV:	-9.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1OC2=CC=CC(=C2)CO)C(=O)O

DOS

IR

Vibrations