Geometry & MOs

Info

ID:	201928
PubChem CID:	79605289
Reduced:	OSN2C8H14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	156.101111
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	2.19
IP(EA), eV:	-9.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-methoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)CCN)OC

DOS

IR

Vibrations