Geometry & MOs

Info

ID:	21772
PubChem CID:	589866
Reduced:	O2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	-3.19
Dipole, Da:	4.24
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=NC=NN2

DOS

IR

Vibrations