Geometry & MOs

Info

ID:	284274
PubChem CID:	104039150
Reduced:	N3C9H11 (1)
Stoich.:	A3B9C11 (1)
Weight, g/mol:	204.112344
ΔH_f, kcal/mol:	76.1
Dipole, Da:	3.58
IP(EA), eV:	-8.7(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

C#CCCNC1=CC(=NC=C1)N

DOS

IR

Vibrations