Geometry & MOs

Info

ID:	292308
PubChem CID:	114916514
Reduced:	SN4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	222.093918
ΔH_f, kcal/mol:	43.98
Dipole, Da:	6.92
IP(EA), eV:	-8.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1N)C2=NN=C(N2C3CCCC3)C

DOS

IR

Vibrations