Geometry & MOs

Info

ID:	212897
PubChem CID:	81062168
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	198.111676
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	4.83
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)CC1=C(C=CS1)/C=C/C(=O)O

DOS

IR

Vibrations