Geometry & MOs

Info

ID:	259971
PubChem CID:	103178862
Reduced:	NO3C11H25 (1)
Stoich.:	AB3C11D25 (1)
Weight, g/mol:	228.158626
ΔH_f, kcal/mol:	-146.25
Dipole, Da:	1.83
IP(EA), eV:	-9.02(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNCCOCCCOC)COC

DOS

IR

Vibrations