Geometry & MOs

Info

ID:	367683
PubChem CID:	127325391
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	2.58
IP(EA), eV:	-9.72(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-3-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)CC(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations