Geometry & MOs

Info

ID:	11472
PubChem CID:	115986
Reduced:	ClON5C14H20 (1)
Stoich.:	ABC5D14E20 (1)
Weight, g/mol:	309.135638
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	6.0
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminophenyl)-N,N-diethyl-5-methyltriazole-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(N(N=N1)C2=CC=C(C=C2)N)C.Cl

DOS

IR

Vibrations