Geometry & MOs

Info

ID:	201478
PubChem CID:	79542528
Reduced:	ON4C8H14 (1)
Stoich.:	AB4C8D14 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	4.58
Dipole, Da:	4.17
IP(EA), eV:	-8.93(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propyl-1-(quinolin-2-ylmethyl)triazol-4-amine

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2CCOC2)N

DOS

IR

Vibrations