Geometry & MOs

Info

ID:	271289
PubChem CID:	103654062
Reduced:	N3C6H10 (2)
Stoich.:	A3B6C10 (2)
Weight, g/mol:	226.125218
ΔH_f, kcal/mol:	66.2
Dipole, Da:	4.49
IP(EA), eV:	-9.1(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thian-4-amine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=C(N(N=C2C)C)C

DOS

IR

Vibrations