Geometry & MOs

Info

ID:	285257
PubChem CID:	104098845
Reduced:	OF2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	5.98
IP(EA), eV:	-9.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCCN2C=CN=N2)OC(F)F

DOS

IR

Vibrations