Geometry & MOs

Info

ID:	212982
PubChem CID:	81062442
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	7.04
IP(EA), eV:	-9.25(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=NNC(=N1)C(C)(C)C

DOS

IR

Vibrations