Geometry & MOs

Info

ID:	213045
PubChem CID:	81062627
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	2.3
IP(EA), eV:	-8.95(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1=CC(=CC=C1)C#CCCO

DOS

IR

Vibrations