Geometry & MOs

Info

ID:	416766
PubChem CID:	135090326
Reduced:	FSN2O4C14H19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-193.41
Dipole, Da:	7.98
IP(EA), eV:	-9.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations