Geometry & MOs

Info

ID:	197134
PubChem CID:	78927967
Reduced:	ON5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	58.02
Dipole, Da:	1.88
IP(EA), eV:	-9.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1H-1,2,4-triazol-3-yl)oxane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)NC(=O)/C=C/C2=CN=CC=C2

DOS

IR

Vibrations