Geometry & MOs

Info

ID:	212928
PubChem CID:	81062256
Reduced:	NSO4C14H23 (1)
Stoich.:	ABC4D14E23 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-166.31
Dipole, Da:	6.01
IP(EA), eV:	-9.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=CC=CC(=C1)C(C)O

DOS

IR

Vibrations