Geometry & MOs

Info

ID:	201372
PubChem CID:	79529422
Reduced:	ON6C9H12 (1)
Stoich.:	AB6C9D12 (1)
Weight, g/mol:	225.101445
ΔH_f, kcal/mol:	37.94
Dipole, Da:	2.65
IP(EA), eV:	-9.22(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(quinolin-4-ylmethyl)triazol-4-amine

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)NCC2=C(NN=C2)N

DOS

IR

Vibrations