Geometry & MOs

Info

ID:	285174
PubChem CID:	104098475
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	248.102174
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	3.02
IP(EA), eV:	-8.98(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-nitro-N-[2-(triazol-1-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)CNC2(CC2)CO

DOS

IR

Vibrations