Geometry & MOs

Info

ID:	208108
PubChem CID:	80496352
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	286.06368
ΔH_f, kcal/mol:	33.53
Dipole, Da:	5.57
IP(EA), eV:	-8.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1N)C(=O)C2=NNN=C2

DOS

IR

Vibrations