Geometry & MOs

Info

ID:	207291
PubChem CID:	80373238
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	294.03421
ΔH_f, kcal/mol:	41.61
Dipole, Da:	6.63
IP(EA), eV:	-9.23(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)C3=NNN=N3

DOS

IR

Vibrations