Geometry & MOs

Info

ID:	367658
PubChem CID:	127325187
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-58.49
Dipole, Da:	4.87
IP(EA), eV:	-9.01(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCOC3C2CCC3)C

DOS

IR

Vibrations