Geometry & MOs

Info

ID:	68302
PubChem CID:	46508147
Reduced:	O3N5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	-5.87
Dipole, Da:	2.26
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-1,2,4-triazol-1-yl)-N-heptan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

DOS

IR

Vibrations