Geometry & MOs

Info

ID:	284882
PubChem CID:	104080348
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	228.140868
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	5.41
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNCC2=C(C(=NC=C2CO)C)O

DOS

IR

Vibrations