Geometry & MOs

Info

ID:	291539
PubChem CID:	113384819
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	262.125218
ΔH_f, kcal/mol:	-37.85
Dipole, Da:	3.63
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)SCC2CCOCC2

DOS

IR

Vibrations