Geometry & MOs

Info

ID:	142915
PubChem CID:	53114395
Reduced:	SO4N5C17H23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	9.0
IP(EA), eV:	-9.08(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-(3,4-dimethylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=C/C(=C/3\NN=C(O3)C(=O)N4CCCC4)/N=C2

DOS

IR

Vibrations