Geometry & MOs

Info

ID:	323828
PubChem CID:	126676275
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	355.154544
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	7.6
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)C(=C1)C(=O)NC)CC2=CC(=CC=C2)COC

DOS

IR

Vibrations