Geometry & MOs

Info

ID:	147013
PubChem CID:	53777043
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	161.070145
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	3.35
IP(EA), eV:	-8.38(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2H-triazol-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=CC1=CNC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations