Geometry & MOs

Info

ID:	393147
PubChem CID:	135019554
Reduced:	ON2C27H40 (1)
Stoich.:	AB2C27D40 (1)
Weight, g/mol:	191.044324
ΔH_f, kcal/mol:	3.72
Dipole, Da:	1.53
IP(EA), eV:	-8.71(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-3-(triazol-2-yl)pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(CC2(CC=C)CC=C)CON3C(CCCC3(C)C)(C)C

DOS

IR

Vibrations