Geometry & MOs

Info

ID:	208103
PubChem CID:	80496347
Reduced:	ClN6C13H21 (1)
Stoich.:	AB6C13D21 (1)
Weight, g/mol:	231.11201
ΔH_f, kcal/mol:	58.64
Dipole, Da:	3.31
IP(EA), eV:	-8.91(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)phenyl]-N-methyl-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(CC1=C(C(=NN1CC)C)Cl)C2=NNN=C2

DOS

IR

Vibrations